Geometry & MOs

Info

ID:	123672
PubChem CID:	50858417
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	427.12593
ΔH_f, kcal/mol:	27.53
Dipole, Da:	11.53
IP(EA), eV:	-8.18(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-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=NC3=CC=C(C=C3)[N+](=O)[O-])C)(C)C

DOS

IR

Vibrations