Geometry & MOs

Info

ID:	405328
PubChem CID:	135073487
Reduced:	O3C16H22 (2)
Stoich.:	A3B16C22 (2)
Weight, g/mol:	258.198365
ΔH_f, kcal/mol:	-214.0
Dipole, Da:	3.66
IP(EA), eV:	-9.15(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2,2-dimethyl-3-[(E)-3-methyl-6-(2-methylphenyl)hex-3-enyl]oxirane

Drug info:

PubChemData

Smile

C[C@]1([C@H](O1)CC[C@@]2([C@H](O2)COC(=O)OC(C)(C)C)C)CCCC(C(C3=CC=CC=C3)C4=CC=CC=C4)OC

DOS

IR

Vibrations