Geometry & MOs

Info

ID:	123431
PubChem CID:	50847192
Reduced:	ClO2N3H20C22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	351.11384
ΔH_f, kcal/mol:	-15.48
Dipole, Da:	1.2
IP(EA), eV:	-8.83(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4-methylphenyl)-3-[(2-phenylpyridin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=C2CCC(=O)N(C2=NC(=N1)C3=CC(=CC=C3)Cl)CC4=CC=CC=C4OC

DOS

IR

Vibrations