Geometry & MOs

Info

ID:	212953
PubChem CID:	81062389
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	244.178693
ΔH_f, kcal/mol:	-79.09
Dipole, Da:	4.19
IP(EA), eV:	-8.66(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)NC1=CC=CC(=C1)C(C)N

DOS

IR

Vibrations