Geometry & MOs

Info

ID:	405469
PubChem CID:	135074043
Reduced:	O4C21H36 (1)
Stoich.:	A4B21C36 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-187.05
Dipole, Da:	6.82
IP(EA), eV:	-9.32(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-methyl-6-[(1R)-3-methyl-2-oxocyclohex-3-en-1-yl]hex-4-enoate

Drug info:

PubChemData

Smile

CC(=CCC[C@@]1([C@H](O1)CC[C@]2([C@@H](O2)CCC(=O)OC(C)(C)C)C)C)C

DOS

IR

Vibrations