Geometry & MOs

Info

ID:	68634
PubChem CID:	46508806
Reduced:	ON2H9C10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	424.156912
ΔH_f, kcal/mol:	37.49
Dipole, Da:	6.28
IP(EA), eV:	-9.26(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=CC=CC=C2O1)NC(=O)C3=CC=C(C=C3)CN4C=NC=N4

DOS

IR

Vibrations