Geometry & MOs

Info

ID:	359771
PubChem CID:	127299815
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	398.07422
ΔH_f, kcal/mol:	-166.61
Dipole, Da:	4.82
IP(EA), eV:	-8.79(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-2-quinolin-8-ylethanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)NS(=O)(=O)CC(=O)NC2CCN(C2=O)C3=CC=CC=C3

DOS

IR

Vibrations