Geometry & MOs

Info

ID:	198125
PubChem CID:	79052308
Reduced:	NO2C18H35 (1)
Stoich.:	AB2C18D35 (1)
Weight, g/mol:	280.287849
ΔH_f, kcal/mol:	-139.72
Dipole, Da:	2.49
IP(EA), eV:	-8.91(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-1-(4-ethylcyclohexyl)-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CCCCCCCCCCC(=O)C(C)(C)N1CCOCC1

DOS

IR

Vibrations