Geometry & MOs

Info

ID:	172860
PubChem CID:	75561092
Reduced:	OCl2N3C23H23 (1)
Stoich.:	AB2C3D23E23 (1)
Weight, g/mol:	387.171355
ΔH_f, kcal/mol:	5.22
Dipole, Da:	9.86
IP(EA), eV:	-8.5(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)Cl)C=C(C#N)C(=O)NC3=CC=C(C=C3)Cl)C)(C)C

DOS

IR

Vibrations