Geometry & MOs

Info

ID:

216267

PubChem CID:

85085967

Reduced:

Cl2N4C9H13 (1)

Stoich.:

A2B4C9D13 (1)

Weight, g/mol:

248.064451

ΔHf, kcal/mol:

65.77

Dipole, Da:

2.46

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750105

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-methoxyimino-4-nitrooxy-3-oxopentanoate

Drug info:

PubChemData

Smile

CC1CNCCN1C2=NC=CN=C2Cl.[Cl-]

DOS

IR

Vibrations