Geometry & MOs

Info

ID:	123755
PubChem CID:	50860912
Reduced:	ClO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	435.20774
ΔH_f, kcal/mol:	-49.38
Dipole, Da:	6.47
IP(EA), eV:	-8.23(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)Cl)/C=N\NC(=O)C3=CC=C(C=C3)O)C(CC1(C)C)C

DOS

IR

Vibrations