Geometry & MOs

Info

ID:	223476
PubChem CID:	85335098
Reduced:	N5H21C24 (1)
Stoich.:	A5B21C24 (1)
Weight, g/mol:	379.179696
ΔH_f, kcal/mol:	138.19
Dipole, Da:	9.11
IP(EA), eV:	-8.91(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1CCC#N)C(=CC(=N2)C3=CN=CN3C)C=CC4=CC=NC=C4

DOS

IR

Vibrations