Geometry & MOs

Info

ID:	11571
PubChem CID:	117801
Reduced:	N2C5O6H10 (1)
Stoich.:	A2B5C6D10 (1)
Weight, g/mol:	194.053886
ΔH_f, kcal/mol:	-85.93
Dipole, Da:	3.27
IP(EA), eV:	-11.8(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dimethyl-3-nitrooxypropyl) nitrate

Drug info:

PubChemData

Smile

CC(C)(CO[N+](=O)[O-])CO[N+](=O)[O-]

DOS

IR

Vibrations