Geometry & MOs

Info

ID:	297447
PubChem CID:	117617859
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	379.132077
ΔH_f, kcal/mol:	31.35
Dipole, Da:	4.29
IP(EA), eV:	-9.65(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methoxyphenyl)methyl]-4-oxo-7H-pyrido[3,4-c]carbazole-11-carbonitrile

Drug info:

PubChemData

Smile

C=C\1CCCC(=O)C/C=C\C=C1\C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations