Geometry & MOs

Info

ID:	144406
PubChem CID:	53364439
Reduced:	O2C16H25 (2)
Stoich.:	A2B16C25 (2)
Weight, g/mol:	346.214409
ΔH_f, kcal/mol:	-205.15
Dipole, Da:	2.47
IP(EA), eV:	-8.95(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,5R)-3-acetyl-4-methyl-1,5-bis(3-methylbut-2-enyl)-2-oxocyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/C[C@@H]1C[C@](C(=O)[C@@](C1(C)C)(CC=C(C)C)C(=O)C)(CC=C(C)C)C(=O)OC)/C)C

DOS

IR

Vibrations