Geometry & MOs

Info

ID:	71050
PubChem CID:	48414222
Reduced:	SO3N4C14H18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	236.127326
ΔH_f, kcal/mol:	-60.54
Dipole, Da:	6.89
IP(EA), eV:	-9.27(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CN(C)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations