Geometry & MOs

Info

ID:	202200
PubChem CID:	79641212
Reduced:	NO3C13H27 (1)
Stoich.:	AB3C13D27 (1)
Weight, g/mol:	258.194343
ΔH_f, kcal/mol:	-166.77
Dipole, Da:	2.96
IP(EA), eV:	-9.18(1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl(2-methoxyethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCNC1(CCCC(C1)OC(C)COC)CO

DOS

IR

Vibrations