Geometry & MOs

Info

ID:	1901
PubChem CID:	5300
Reduced:	N3O7C8H15 (1)
Stoich.:	A3B7C8D15 (1)
Weight, g/mol:	265.091
ΔH_f, kcal/mol:	-260.86
Dipole, Da:	2.73
IP(EA), eV:	-10.5(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-nitroso-3-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea

Drug info:

PubChemData

Smile

CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O

DOS

IR

Vibrations