Geometry & MOs

Info

ID:	343937
PubChem CID:	127267113
Reduced:	SN2O3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	-106.2
Dipole, Da:	5.64
IP(EA), eV:	-8.51(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-3-[2-(2H-triazol-4-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

CC1=CC(=CNC1=O)NS(=O)(=O)CCC2(CC2)C

DOS

IR

Vibrations