Geometry & MOs

Info

ID:	144407
PubChem CID:	53364440
Reduced:	O4C21H30 (1)
Stoich.:	A4B21C30 (1)
Weight, g/mol:	362.24571
ΔH_f, kcal/mol:	-178.43
Dipole, Da:	6.3
IP(EA), eV:	-9.36(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=O)[C@@](C[C@H]1CC=C(C)C)(CC=C(C)C)C(=O)OC)C(=O)C

DOS

IR

Vibrations