Geometry & MOs

Info

ID:

338703

PubChem CID:

127259714

Reduced:

NF3H8C9 (1)

Stoich.:

AB3C8D9 (1)

Weight, g/mol:

185.084064

ΔHf, kcal/mol:

-130.96

Dipole, Da:

6.1

IP(EA), eV:

-8.73(-0.59)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

4-[(E)-2-(furan-2-yl)ethenyl]aniline

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C(F)(F)F)N

DOS

IR

Vibrations