Geometry & MOs

Info

ID:	123763
PubChem CID:	50861005
Reduced:	ClFN2C21H24 (1)
Stoich.:	ABC2D21E24 (1)
Weight, g/mol:	435.20774
ΔH_f, kcal/mol:	-21.65
Dipole, Da:	7.14
IP(EA), eV:	-8.16(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)Cl)C=NC3=CC(=CC=C3)F)C(CC1(C)C)C

DOS

IR

Vibrations