Geometry & MOs

Info

ID:	73889
PubChem CID:	48420937
Reduced:	N3O4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-91.56
Dipole, Da:	11.53
IP(EA), eV:	-9.37(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetylphenyl)-1-ethyl-1-(2-hydroxypropyl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations