Geometry & MOs

Info

ID:

317049

PubChem CID:

126632345

Reduced:

N3H38C51 (2)

Stoich.:

A3B38C51 (2)

Weight, g/mol:

541.7649

ΔHf, kcal/mol:

409.99

Dipole, Da:

1.44

IP(EA), eV:

 -8.13(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-fluoro-3,5,6-tris(iodomethyl)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC7=C8C(=C6)C(C9=CC(=CC(=C98)C7(C)C)C2=NC(=NC(=N2)N2C3=C(C=C(C=C3)C3=CC4=C(C=C3)C(C3=CC=CC=C34)(C)C)C3=CC=CC=C32)N2C3=C(C=C(C=C3)C3=CC4=C(C=C3)C(C3=CC=CC=C34)(C)C)C3=CC=CC=C32)(C)C)C2=CC=CC=C21)C

DOS

IR

Vibrations