Geometry & MOs

Info

ID:	74034
PubChem CID:	48421377
Reduced:	N3O4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	270.113506
ΔH_f, kcal/mol:	-93.78
Dipole, Da:	2.22
IP(EA), eV:	-9.45(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-methylphenyl)-1-ethyl-1-(2-hydroxypropyl)urea

Drug info:

PubChemData

Smile

CCN(CC(C)O)C(=O)NC1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations