Geometry & MOs

Info

ID:	231705
PubChem CID:	87574485
Reduced:	ClON3C9H12 (1)
Stoich.:	ABC3D9E12 (1)
Weight, g/mol:	282.117549
ΔH_f, kcal/mol:	1.52
Dipole, Da:	3.44
IP(EA), eV:	-9.43(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1=NC=C(C=C1)C(=O)NC)Cl

DOS

IR

Vibrations