Geometry & MOs

Info

ID:	51385
PubChem CID:	12014042
Reduced:	O4C31H40 (2)
Stoich.:	A4B31C40 (2)
Weight, g/mol:	362.318481
ΔH_f, kcal/mol:	-329.75
Dipole, Da:	2.21
IP(EA), eV:	-8.6(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-4,5-dioctoxyocta-1,7-diyne

Drug info:

PubChemData

Smile

CCCCCCCCO[C@H]1CC2=C(C[C@@H]1OCCCCCCCC)C(=C(C(=C2C3=CC=C(C=C3)C4=CC=C(C=C4)OCCCC)C(=O)OC)C(=O)OC)C5=CC=C(C=C5)C6=CC=C(C=C6)OCCCC

DOS

IR

Vibrations