Geometry & MOs

Info

ID:

231253

PubChem CID:

87573211

Reduced:

N2C12H15 (1)

Stoich.:

A2B12C15 (1)

Weight, g/mol:

192.099774

ΔHf, kcal/mol:

53.92

Dipole, Da:

2.27

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.969921

Charge, e:

 0

Chem-info

IUPAC name:

diethyl carbonate;propanoic acid

Drug info:

PubChemData

Smile

CCN1C=C[N+](=C1C2=CC=CC=C2)C

DOS

IR

Vibrations