Geometry & MOs

Info

ID:	325303
PubChem CID:	126682562
Reduced:	OC20H36 (1)
Stoich.:	AB20C36 (1)
Weight, g/mol:	294.25588
ΔH_f, kcal/mol:	-54.55
Dipole, Da:	1.84
IP(EA), eV:	-9.65(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8,8-dimethylnonyl)-3-[(Z)-4-(oxiran-2-yl)but-2-enyl]oxirane

Drug info:

PubChemData

Smile

CC(C)(C)CCCCCCC/C=C\CC1C(O1)CC2CC2

DOS

IR

Vibrations