Geometry & MOs

Info

ID:	146121
PubChem CID:	53638355
Reduced:	NO2C23H31 (1)
Stoich.:	AB2C23D31 (1)
Weight, g/mol:	220.98401
ΔH_f, kcal/mol:	-54.26
Dipole, Da:	3.64
IP(EA), eV:	-8.64(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-methylquinoline

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CCOCCN(C)C)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations