Geometry & MOs

Info

ID:	74058
PubChem CID:	48421405
Reduced:	N3O5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	362.13972
ΔH_f, kcal/mol:	-94.05
Dipole, Da:	3.91
IP(EA), eV:	-9.48(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-methylphenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea

Drug info:

PubChemData

Smile

CN(CC(COCC1=CC=CC=C1)O)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations