Geometry & MOs

Info

ID:	193313
PubChem CID:	78374721
Reduced:	N2O2C15H19 (1)
Stoich.:	A2B2C15D19 (1)
Weight, g/mol:	271.181038
ΔH_f, kcal/mol:	-37.82
Dipole, Da:	3.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.216511
Charge, e:	1

Chem-info

IUPAC name:

2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-3H-quinolin-4-one

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=O)C1C[NH+]3CCOCC3

DOS

IR

Vibrations