Geometry & MOs

Info

ID:	70850
PubChem CID:	48413950
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	336.125612
ΔH_f, kcal/mol:	-32.27
Dipole, Da:	2.05
IP(EA), eV:	-8.5(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations