Geometry & MOs

Info

ID:	157305
PubChem CID:	56422781
Reduced:	SN3O3C23H31 (1)
Stoich.:	AB3C3D23E31 (1)
Weight, g/mol:	424.207468
ΔH_f, kcal/mol:	-106.44
Dipole, Da:	3.34
IP(EA), eV:	-8.84(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[2-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-3-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)CC3=CC=CC=C3

DOS

IR

Vibrations