Geometry & MOs

Info

ID:	26125
PubChem CID:	639083
Reduced:	Cl2N2O5H8C10 (1)
Stoich.:	A2B2C5D8E10 (1)
Weight, g/mol:	272.019999
ΔH_f, kcal/mol:	-99.4
Dipole, Da:	1.51
IP(EA), eV:	-9.48(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-4-oxo-2H-1,3-benzoxazin-3-yl)ethyl nitrate

Drug info:

PubChemData

Smile

C1N(C(=O)C2=C(O1)C(=CC(=C2)Cl)Cl)CCO[N+](=O)[O-]

DOS

IR

Vibrations