Geometry & MOs

Info

ID:	123963
PubChem CID:	50868002
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	435.171355
ΔH_f, kcal/mol:	-46.87
Dipole, Da:	8.61
IP(EA), eV:	-8.09(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations