Geometry & MOs

Info

ID:

165411

PubChem CID:

74546954

Reduced:

NO3H10C16 (1)

Stoich.:

AB3C10D16 (1)

Weight, g/mol:

172.000788

ΔHf, kcal/mol:

37.24

Dipole, Da:

2.53

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.305134

Charge, e:

 -2

Chem-info

IUPAC name:

2-carboxycyclopropane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=C3C=CC=CC3=O)C=C2C(=O)[O-])C=C1

DOS

IR

Vibrations