Geometry & MOs

Info

ID:	190922
PubChem CID:	78076777
Reduced:	N2O7C11H12 (1)
Stoich.:	A2B7C11D12 (1)
Weight, g/mol:	206.090272
ΔH_f, kcal/mol:	-107.86
Dipole, Da:	2.01
IP(EA), eV:	-11.01(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(2-nitrooxyethyl)carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)OCCCCO[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations