Geometry & MOs

Info

ID:

193726

PubChem CID:

78430427

Reduced:

INO4H17C18 (1)

Stoich.:

ABC4D17E18 (1)

Weight, g/mol:

368.172265

ΔHf, kcal/mol:

-79.53

Dipole, Da:

3.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.087526

Charge, e:

 1

Chem-info

IUPAC name:

6-amino-7-ethyl-2-oxo-N-(oxolan-2-ylmethyl)-7,9-diaza-1-azoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,8,10,12-hexaene-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(CC(=O)NC2=CC=C(C=C2)I)C(=O)[O-]

DOS

IR

Vibrations