Geometry & MOs

Info

ID:	172882
PubChem CID:	75565324
Reduced:	ION3C22H24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	372.175025
ΔH_f, kcal/mol:	46.92
Dipole, Da:	4.61
IP(EA), eV:	-7.62(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-benzimidazol-2-yl)-3-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C=NNC(=O)C3=CC(=CC=C3)I)C(=CC(N2C)(C)C)C

DOS

IR

Vibrations