Geometry & MOs

Info

ID:	123756
PubChem CID:	50860913
Reduced:	ClON3C26H30 (1)
Stoich.:	ABC3D26E30 (1)
Weight, g/mol:	435.20774
ΔH_f, kcal/mol:	-9.7
Dipole, Da:	8.95
IP(EA), eV:	-8.24(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)C)/C=C(\C#N)/C(=O)NC3=C(C(=CC=C3)Cl)C)C(CC1(C)C)C

DOS

IR

Vibrations