Geometry & MOs

Info

ID:	396896
PubChem CID:	135029402
Reduced:	N2C18H21 (1)
Stoich.:	A2B18C21 (1)
Weight, g/mol:	294.98441
ΔH_f, kcal/mol:	64.22
Dipole, Da:	1.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.101123
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-7-methoxy-2-methylquinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=N[NH+]([C@@](C1)(C)C2=CC=CC=C2)C3=CC=C(C=C3)C

DOS

IR

Vibrations