Geometry & MOs

Info

ID:

146207

PubChem CID:

53650810

Reduced:

N2C3H7 (1)

Stoich.:

A2B3C7 (1)

Weight, g/mol:

351.054084

ΔHf, kcal/mol:

38.96

Dipole, Da:

2.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.807920

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-2-phenyl-4-[3-(trifluoromethylsulfanyl)phenyl]furan-3-ol

Drug info:

PubChemData

Smile

CC(=[N+]=N)C

DOS

IR

Vibrations