Geometry & MOs

Info

ID:	30335
PubChem CID:	841153
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	268.157563
ΔH_f, kcal/mol:	-48.45
Dipole, Da:	1.99
IP(EA), eV:	-8.46(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC=CC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations