Geometry & MOs

Info

ID:	202202
PubChem CID:	79641842
Reduced:	ON3C16H31 (1)
Stoich.:	AB3C16D31 (1)
Weight, g/mol:	282.230728
ΔH_f, kcal/mol:	-80.83
Dipole, Da:	2.92
IP(EA), eV:	-8.54(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(ethylamino)-3-(2-methylazepan-1-yl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCNC1(CCCC(C1)N2CCCC(CC2)C)C(=O)N

DOS

IR

Vibrations