Geometry & MOs

Info

ID:	123673
PubChem CID:	50858418
Reduced:	BrON3C22H26 (1)
Stoich.:	ABC3D22E26 (1)
Weight, g/mol:	427.12593
ΔH_f, kcal/mol:	-6.95
Dipole, Da:	2.8
IP(EA), eV:	-7.94(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)C)/C=N\NC(=O)C3=CC=CC=C3Br)C)(C)C

DOS

IR

Vibrations