Geometry & MOs

Info

ID:

414103

PubChem CID:

135087057

Reduced:

NO2C13H17 (1)

Stoich.:

AB2C13D17 (1)

Weight, g/mol:

212.047344

ΔHf, kcal/mol:

-31.02

Dipole, Da:

2.22

IP(EA), eV:

-8.91(0.07)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1,5-bis(furan-3-yl)penta-1,4-diyn-3-ol

Drug info:

PubChemData

Smile

CC(=C)C(C)(C)C(=O)N(C1=CC=CC=C1)O

DOS

IR

Vibrations