Geometry & MOs

Info

ID:	198682
PubChem CID:	79135716
Reduced:	NOCl2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	269.271865
ΔH_f, kcal/mol:	-64.76
Dipole, Da:	4.44
IP(EA), eV:	-9.49(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methylpentan-3-ol

Drug info:

PubChemData

Smile

CCC(C)(CN)C(C1=C(C=C(C=C1)Cl)Cl)O

DOS

IR

Vibrations