Geometry & MOs

Info

ID:

391937

PubChem CID:

135011149

Reduced:

N2O2C19H27 (1)

Stoich.:

A2B2C19D27 (1)

Weight, g/mol:

509.84699

ΔHf, kcal/mol:

-20.76

Dipole, Da:

1.04

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.794165

Charge, e:

0

Chem-info

IUPAC name:

2-[(Z)-iodo-[(2Z)-2-[iodo(thiophen-2-yl)methylidene]cyclopentylidene]methyl]thiophene

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC=C1OCCCCN2C=C[N+](=C2)C)C=C

DOS

IR

Vibrations