Geometry & MOs

Info

ID:	137486
PubChem CID:	52213545
Reduced:	SN3O4C18H29 (1)
Stoich.:	AB3C4D18E29 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-178.82
Dipole, Da:	4.56
IP(EA), eV:	-9.58(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethylphenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C(C)C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N(CC)CC

DOS

IR

Vibrations