Geometry & MOs

Info

ID:	389808
PubChem CID:	134995340
Reduced:	O2N3C6H13 (1)
Stoich.:	A2B3C6D13 (1)
Weight, g/mol:	228.060703
ΔH_f, kcal/mol:	-36.85
Dipole, Da:	4.49
IP(EA), eV:	-9.78(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-N-[2-[cyanomethyl(nitro)amino]ethyl]nitramide

Drug info:

PubChemData

Smile

CC(C)OC[C@H](CN=[N+]=[N-])O

DOS

IR

Vibrations