Geometry & MOs

Info

ID:	74043
PubChem CID:	48421387
Reduced:	ClN3O5C18H20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-94.82
Dipole, Da:	8.9
IP(EA), eV:	-9.55(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-3-phenylmethoxypropyl)-1-methyl-3-(4-methyl-2-oxochromen-7-yl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations