Geometry & MOs

Info

ID:	123898
PubChem CID:	50864473
Reduced:	FOSN3H22C23 (1)
Stoich.:	ABCD3E22F23 (1)
Weight, g/mol:	399.231063
ΔH_f, kcal/mol:	1.67
Dipole, Da:	4.52
IP(EA), eV:	-7.75(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-N-(2-ethylphenyl)-3-(1,2,2,4,7-pentamethylquinolin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(N(C2=C1C=C(C=C2)/C=C/3\C(=O)N=C(S3)NC4=CC=C(C=C4)F)C)(C)C

DOS

IR

Vibrations