Geometry & MOs

Info

ID:	325971
PubChem CID:	126685845
Reduced:	ON2C12H20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	200.104859
ΔH_f, kcal/mol:	-34.19
Dipole, Da:	1.73
IP(EA), eV:	-8.54(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-3-ethoxycarbonylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC(CN)N)C1=CC=C(C=C1)OC

DOS

IR

Vibrations