Geometry & MOs

Info

ID:	123962
PubChem CID:	50867988
Reduced:	N3O4C26H27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	431.220892
ΔH_f, kcal/mol:	-111.1
Dipole, Da:	9.97
IP(EA), eV:	-8.33(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-3-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)OC)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC=CC=C4)C(=CC1(C)C)C

DOS

IR

Vibrations