Geometry & MOs

Info

ID:	123667
PubChem CID:	50858393
Reduced:	ClON3C24H26 (1)
Stoich.:	ABC3D24E26 (1)
Weight, g/mol:	407.17644
ΔH_f, kcal/mol:	5.23
Dipole, Da:	9.09
IP(EA), eV:	-8.26(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-chlorophenyl)-2-cyano-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)Cl)C)(C)C

DOS

IR

Vibrations