Geometry & MOs

Info

ID:	130021
PubChem CID:	51074648
Reduced:	ClN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	256.097855
ΔH_f, kcal/mol:	-88.77
Dipole, Da:	3.93
IP(EA), eV:	-8.8(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations