Geometry & MOs

Info

ID:

399136

PubChem CID:

135038093

Reduced:

N2C14H17 (1)

Stoich.:

A2B14C17 (1)

Weight, g/mol:

380.98375

ΔHf, kcal/mol:

92.51

Dipole, Da:

0.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.231502

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-iodo-4-(trifluoromethyl)anilino]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CCCCC#CC1=CC=CC=C1/C=N/[N-]C

DOS

IR

Vibrations