Geometry & MOs

Info

ID:	69511
PubChem CID:	47193686
Reduced:	OCl2N4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	312.054466
ΔH_f, kcal/mol:	-4.68
Dipole, Da:	4.0
IP(EA), eV:	-9.44(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dichlorophenyl)-3-(3-pyrazol-1-ylpropyl)urea

Drug info:

PubChemData

Smile

CC(CN1C=CC=N1)NC(=O)NC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations