Geometry & MOs

Info

ID:	200605
PubChem CID:	79415355
Reduced:	NO2C12H25 (1)
Stoich.:	AB2C12D25 (1)
Weight, g/mol:	227.224915
ΔH_f, kcal/mol:	-137.52
Dipole, Da:	4.41
IP(EA), eV:	-9.68(2.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-aminopentan-2-yl)-4-ethylcycloheptan-1-ol

Drug info:

PubChemData

Smile

CCCC(CN)C1(CCOC(C1)(C)C)O

DOS

IR

Vibrations