Geometry & MOs

Info

ID:

426222

PubChem CID:

135142777

Reduced:

N5C46H47 (1)

Stoich.:

A5B46C47 (1)

Weight, g/mol:

795.430097

ΔHf, kcal/mol:

194.18

Dipole, Da:

5.03

IP(EA), eV:

 -7.64(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[4-[3-[3-(4-cyclohexa-1,3-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazinan-2-yl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),5,8,10,12-hexaene

Drug info:

PubChemData

Smile

C1CC2C3CC=CC=C3N4C(NC5=CCCC(=C54)C2C=C1)C6=CCC(C=C6)C7=CC(=CC=C7)C8=NC(N=C(N8)C9CC=CC=C9)C1CC=CC=C1

DOS

IR

Vibrations