Geometry & MOs

Info

ID:	201196
PubChem CID:	79503776
Reduced:	SO2N4C9H14 (1)
Stoich.:	AB2C4D9E14 (1)
Weight, g/mol:	245.12766
ΔH_f, kcal/mol:	-23.65
Dipole, Da:	8.54
IP(EA), eV:	-9.59(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)urea

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)NC1=C(C=NN1C)C#N

DOS

IR

Vibrations