Geometry & MOs

Info

ID:	123910
PubChem CID:	50865116
Reduced:	ClOSN3C24H24 (1)
Stoich.:	ABCD3E24F24 (1)
Weight, g/mol:	405.16079
ΔH_f, kcal/mol:	28.66
Dipole, Da:	1.87
IP(EA), eV:	-7.93(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-2-cyano-N-(2-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=NC(=O)/C(=C\C3=CC4=C(C=C3Cl)N(C(C=C4C)(C)C)C)/S2

DOS

IR

Vibrations