Geometry & MOs

Info

ID:	70740
PubChem CID:	48413802
Reduced:	SO2N5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	9.93
Dipole, Da:	2.21
IP(EA), eV:	-8.5(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4

DOS

IR

Vibrations