Geometry & MOs

Info

ID:	213005
PubChem CID:	81062480
Reduced:	O2N3C12H27 (1)
Stoich.:	A2B3C12D27 (1)
Weight, g/mol:	284.209993
ΔH_f, kcal/mol:	-109.76
Dipole, Da:	3.44
IP(EA), eV:	-8.81(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylamino)-3-[2-ethoxyethyl(methyl)amino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC(C)(CN(C)CCOCC)C(=O)N

DOS

IR

Vibrations