Geometry & MOs

Info

ID:	402784
PubChem CID:	135057269
Reduced:	O3C14H20 (1)
Stoich.:	A3B14C20 (1)
Weight, g/mol:	226.120509
ΔH_f, kcal/mol:	-153.73
Dipole, Da:	0.93
IP(EA), eV:	-9.17(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R,6R)-6-ethyl-2,4-dihydroxy-3-methylidenecyclohexene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[C@@H](C)O)[C@@H](C)OC(=O)C)C

DOS

IR

Vibrations