Geometry & MOs

Info

ID:	70950
PubChem CID:	48414089
Reduced:	O2N3H17C18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	396.102289
ΔH_f, kcal/mol:	5.08
Dipole, Da:	0.95
IP(EA), eV:	-9.19(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

DOS

IR

Vibrations