Geometry & MOs

Info

ID:	123692
PubChem CID:	50858956
Reduced:	BrClN3O3H23C24 (1)
Stoich.:	ABC3D3E23F24 (1)
Weight, g/mol:	471.0713
ΔH_f, kcal/mol:	-85.71
Dipole, Da:	9.92
IP(EA), eV:	-8.44(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(4-bromophenyl)-3-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-2-cyanoprop-2-enamide

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)Cl)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)Br)C)(C)C

DOS

IR

Vibrations