Geometry & MOs

Info

ID:	26180
PubChem CID:	640151
Reduced:	O2C5H7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	243.147058
ΔH_f, kcal/mol:	-141.81
Dipole, Da:	2.15
IP(EA), eV:	-8.67(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[2-(ethylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(OC)OC)O

DOS

IR

Vibrations