Geometry & MOs

Info

ID:	201420
PubChem CID:	79538254
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	301.188923
ΔH_f, kcal/mol:	-105.91
Dipole, Da:	1.08
IP(EA), eV:	-8.67(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,2-diethoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(CNC(C1CC1)C2=CC=C(C=C2)OC)OCC

DOS

IR

Vibrations