Geometry & MOs

Info

ID:	153982
PubChem CID:	56313340
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	394.198046
ΔH_f, kcal/mol:	-103.19
Dipole, Da:	8.3
IP(EA), eV:	-9.91(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpiperidin-3-yl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)NC

DOS

IR

Vibrations