Geometry & MOs

Info

ID:	269334
PubChem CID:	103617020
Reduced:	OCl2N4C12H12 (1)
Stoich.:	AB2C4D12E12 (1)
Weight, g/mol:	284.023166
ΔH_f, kcal/mol:	-8.08
Dipole, Da:	4.67
IP(EA), eV:	-9.47(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dichlorophenyl)-3-(1H-pyrazol-5-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)NC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations