Geometry & MOs

Info

ID:

413243

PubChem CID:

135086190

Reduced:

FN4H12C13 (1)

Stoich.:

AB4C12D13 (1)

Weight, g/mol:

214.02998

ΔHf, kcal/mol:

74.92

Dipole, Da:

4.32

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.149418

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-methoxy-3-oxo-3-thiophen-2-ylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N=[N+]=[N-])C2=C[N+](=CC=C2)C

DOS

IR

Vibrations