Geometry & MOs

Info

ID:

435714

PubChem CID:

135192237

Reduced:

N2O3H38C65 (1)

Stoich.:

A2B3C38D65 (1)

Weight, g/mol:

741.241627

ΔHf, kcal/mol:

229.53

Dipole, Da:

2.11

IP(EA), eV:

 -8.39(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-naphthalen-1-yl-4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),19-nonaen-10-yl)-1,3,5-triazine

Drug info:

PubChemData

Smile

C=C1/C(=C\C2=CC=CC=C2CC3=C(O1)C=CC4=CC=CC=C34)/C5=NC(=NC(=C5)C6=CC7=CC=CC=C7C8=C6OC9=C8C1=CC=CC=C1C=C9)C1=CC2=CC=CC=C2C2=C1OC1=C2C2=CC=CC=C2C=C1

DOS

IR

Vibrations