Geometry & MOs

Info

ID:	385860
PubChem CID:	134980160
Reduced:	O5H16C17 (1)
Stoich.:	A5B16C17 (1)
Weight, g/mol:	376.188589
ΔH_f, kcal/mol:	-150.68
Dipole, Da:	5.91
IP(EA), eV:	-9.31(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R,6S)-5-ethoxy-6-methoxycarbonyl-2-methyl-2-(2-phenylmethoxyethyl)cyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(=O)[C@H]3[C@@H](O2)CC(=O)C=C3OC

DOS

IR

Vibrations