Geometry & MOs

Info

ID:	123818
PubChem CID:	50862643
Reduced:	OCl2N3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	455.15723
ΔH_f, kcal/mol:	-18.62
Dipole, Da:	7.95
IP(EA), eV:	-8.04(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(Z)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations