Geometry & MOs

Info

ID:	386087
PubChem CID:	134980741
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	360.157288
ΔH_f, kcal/mol:	-102.2
Dipole, Da:	2.26
IP(EA), eV:	-8.76(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1S,2S)-4-(2-acetyloxy-2-phenylethyl)cyclohex-4-ene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2C=CCC[C@H]2C(=O)OC

DOS

IR

Vibrations