Geometry & MOs

Info

ID:	130022
PubChem CID:	51074651
Reduced:	ClN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	260.072784
ΔH_f, kcal/mol:	-90.71
Dipole, Da:	1.35
IP(EA), eV:	-8.66(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-fluorophenyl)-3-(1-methoxypropan-2-yl)urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)NC(C)COC)Cl

DOS

IR

Vibrations