Geometry & MOs

Info

ID:	156427
PubChem CID:	56370549
Reduced:	BrNSO3C17H22 (1)
Stoich.:	ABCD3E17F22 (1)
Weight, g/mol:	434.220557
ΔH_f, kcal/mol:	-109.34
Dipole, Da:	1.69
IP(EA), eV:	-9.58(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carbonyl]-1-methylquinolin-2-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)NCC1CCC=CC1)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations