Geometry & MOs

Info

ID:	223475
PubChem CID:	85335096
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	379.179696
ΔH_f, kcal/mol:	-59.04
Dipole, Da:	4.58
IP(EA), eV:	-9.33(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[7-methyl-2-(3-methylimidazol-4-yl)-4-(2-pyridin-4-ylethenyl)quinolin-6-yl]propanenitrile

Drug info:

PubChemData

Smile

C1CC2CCC(C(=O)N2C(C1)C(=O)NO)(C3=CC=C(C=C3)C4=CC=CC=C4)N

DOS

IR

Vibrations