Geometry & MOs

Info

ID:	172855
PubChem CID:	75560970
Reduced:	FON3C24H26 (1)
Stoich.:	ABC3D24E26 (1)
Weight, g/mol:	441.137468
ΔH_f, kcal/mol:	-32.08
Dipole, Da:	8.75
IP(EA), eV:	-8.24(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(2,4-dichlorophenyl)-3-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)C)C=C(C#N)C(=O)NC3=CC=C(C=C3)F)C)(C)C

DOS

IR

Vibrations