Geometry & MOs

Info

ID:	73902
PubChem CID:	48420957
Reduced:	N3O5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-89.08
Dipole, Da:	7.81
IP(EA), eV:	-9.31(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyanophenyl)-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