Geometry & MOs

Info

ID:

435716

PubChem CID:

135192239

Reduced:

N2H40C57 (1)

Stoich.:

A2B40C57 (1)

Weight, g/mol:

790.250795

ΔHf, kcal/mol:

225.4

Dipole, Da:

1.08

IP(EA), eV:

 -8.33(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[3-(6H-benzo[c]chromen-3-yl)-5-(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)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C=C1)C3=C(C(=CC4=CC=CC=C43)C5=CC(=NC(=N5)C6=CC=CC7=CC=CC=C76)C8=CC9=CC=CC=C9C1=C8CC2=C1C1=C(CCC=C1)C=C2)C

DOS

IR

Vibrations