Geometry & MOs

Info

ID:	44381
PubChem CID:	10503285
Reduced:	OC31H50 (1)
Stoich.:	AB31C50 (1)
Weight, g/mol:	440.257144
ΔH_f, kcal/mol:	-39.12
Dipole, Da:	2.78
IP(EA), eV:	-8.98(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3,4-bis(butylsulfanyl)-6-(2-methylcyclohexen-1-yl)hex-3-en-1,5-diynyl]-2-methylcyclohexene

Drug info:

PubChemData

Smile

[3H]C(=C)/C(=C\CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CCC1C(O1)(C)C)/C)/CCC=C(C)C

DOS

IR

Vibrations