Geometry & MOs

Info

ID:

225502

PubChem CID:

85852573

Reduced:

PN4O6C8H14 (1)

Stoich.:

AB4C6D8E14 (1)

Weight, g/mol:

174.100442

ΔHf, kcal/mol:

-282.94

Dipole, Da:

3.67

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.864872

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-(2-acetylhydrazinyl)propanoate

Drug info:

PubChemData

Smile

CN1C2=NC=[N+](C2C(=O)N(C1=O)C)C.OP(=O)(O)O

DOS

IR

Vibrations