Geometry & MOs

Info

ID:	64063
PubChem CID:	29195970
Reduced:	FSN3O3C20H30 (1)
Stoich.:	ABC3D3E20F30 (1)
Weight, g/mol:	367.14514
ΔH_f, kcal/mol:	-168.67
Dipole, Da:	7.39
IP(EA), eV:	-8.94(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NCCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations