Geometry & MOs

Info

ID:	123666
PubChem CID:	50858392
Reduced:	O2N3C26H31 (1)
Stoich.:	A2B3C26D31 (1)
Weight, g/mol:	407.17644
ΔH_f, kcal/mol:	-29.22
Dipole, Da:	5.31
IP(EA), eV:	-8.12(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC3=C(C=C2C)N(C(CC3C)(C)C)C)/C#N

DOS

IR

Vibrations