Geometry & MOs

Info

ID:	74042
PubChem CID:	48421386
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	393.109149
ΔH_f, kcal/mol:	-56.85
Dipole, Da:	4.43
IP(EA), eV:	-8.66(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC(COCC1=CC=CC=C1)O)C(=O)NC2=CC=CC3=C2C=CN=C3

DOS

IR

Vibrations