Geometry & MOs

Info

ID:	172854
PubChem CID:	75560969
Reduced:	OSCl2N3C24H25 (1)
Stoich.:	ABC2D3E24F25 (1)
Weight, g/mol:	391.205991
ΔH_f, kcal/mol:	2.85
Dipole, Da:	5.12
IP(EA), eV:	-7.97(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(4-fluorophenyl)-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=C3C(=O)N=C(S3)NC4=C(C(=CC=C4)Cl)Cl)C)(C)C

DOS

IR

Vibrations