Geometry & MOs

Info

ID:	123693
PubChem CID:	50858957
Reduced:	BrClON3C23H23 (1)
Stoich.:	ABCD3E23F23 (1)
Weight, g/mol:	423.171355
ΔH_f, kcal/mol:	17.13
Dipole, Da:	10.13
IP(EA), eV:	-8.48(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)Cl)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)Br)C)(C)C

DOS

IR

Vibrations