Geometry & MOs

Info

ID:	123986
PubChem CID:	50868794
Reduced:	O2N3C27H31 (1)
Stoich.:	A2B3C27D31 (1)
Weight, g/mol:	433.19209
ΔH_f, kcal/mol:	-16.14
Dipole, Da:	9.39
IP(EA), eV:	-8.08(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-chlorophenyl)-2-cyano-3-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)C)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)OC)C(=CC1(C)C)C

DOS

IR

Vibrations