Geometry & MOs

Info

ID:	30959
PubChem CID:	853932
Reduced:	O3C22H24 (1)
Stoich.:	A3B22C24 (1)
Weight, g/mol:	289.131408
ΔH_f, kcal/mol:	-89.67
Dipole, Da:	3.43
IP(EA), eV:	-8.87(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S)-6-[(4-ethoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H](CC(=O)C2=CC=CC=C2)[C@H]3CCCCC3=O

DOS

IR

Vibrations