Geometry & MOs

Info

ID:	283213
PubChem CID:	103964849
Reduced:	N3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	265.059974
ΔH_f, kcal/mol:	7.1
Dipole, Da:	8.4
IP(EA), eV:	-9.07(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-nitroquinolin-4-yl)imidazole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1(CN(C1)C2=C(C=NC3=CC=CC=C32)[N+](=O)[O-])O

DOS

IR

Vibrations