Geometry & MOs

Info

ID:	145382
PubChem CID:	53513841
Reduced:	NS2O3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-86.46
Dipole, Da:	6.04
IP(EA), eV:	-8.5(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCN(C2=CC=CC=C2S1)S(=O)(=O)C3=CC(=C(C=C3)OC)C

DOS

IR

Vibrations