Geometry & MOs

Info

ID:	123802
PubChem CID:	50862451
Reduced:	Cl2N3O3C26H27 (1)
Stoich.:	A2B3C3D26E27 (1)
Weight, g/mol:	421.19209
ΔH_f, kcal/mol:	-112.03
Dipole, Da:	10.32
IP(EA), eV:	-8.36(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-chlorophenyl)-2-cyano-3-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)/C=C\3/C(=O)NC(=O)N(C3=O)C4=C(C=C(C=C4)Cl)Cl)C(CC1(C)C)C

DOS

IR

Vibrations