Geometry & MOs

Info

ID:	403412
PubChem CID:	135060133
Reduced:	N2O2H10C13 (1)
Stoich.:	A2B2C10D13 (1)
Weight, g/mol:	373.121512
ΔH_f, kcal/mol:	-17.91
Dipole, Da:	2.22
IP(EA), eV:	-8.81(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-benzoyl-5H-pyrido[4,3-b]indol-3-yl)benzonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)C3=C(N2)C=CC=N3

DOS

IR

Vibrations