Geometry & MOs

Info

ID:	202137
PubChem CID:	79634110
Reduced:	O2N3C16H31 (1)
Stoich.:	A2B3C16D31 (1)
Weight, g/mol:	298.262028
ΔH_f, kcal/mol:	-110.2
Dipole, Da:	2.12
IP(EA), eV:	-8.55(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl(2-methylbutyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCN1CCCC1CN(C)C2CCCC(C2)(C(=O)OC)N

DOS

IR

Vibrations