Geometry & MOs

Info

ID:	397684
PubChem CID:	135030575
Reduced:	NC10H13 (2)
Stoich.:	AB10C13 (2)
Weight, g/mol:	428.163711
ΔH_f, kcal/mol:	24.31
Dipole, Da:	3.11
IP(EA), eV:	-8.85(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoylpentacyclo[6.6.2.13,6.02,7.09,14]heptadeca-9,11,13-triene-15,15,16,16-tetracarbonitrile

Drug info:

PubChemData

Smile

C[C@@]12CC[C@H]3CC1[C@@H](C[C@]24C=NC5=CC=CC=C45)NC3(C)C

DOS

IR

Vibrations