Geometry & MOs

Info

ID:

187991

PubChem CID:

77652230

Reduced:

O2N4H7C10 (1)

Stoich.:

A2B4C7D10 (1)

Weight, g/mol:

448.180543

ΔHf, kcal/mol:

101.01

Dipole, Da:

2.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.864314

Charge, e:

 0

Chem-info

IUPAC name:

2-carbamoylpyrrolidine-2-carboxylic acid;pentanedioic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations