Geometry & MOs

Info

ID:	198618
PubChem CID:	79126092
Reduced:	NOF3C12H22 (1)
Stoich.:	ABC3D12E22 (1)
Weight, g/mol:	253.204179
ΔH_f, kcal/mol:	-246.71
Dipole, Da:	3.86
IP(EA), eV:	-9.3(1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(aminomethyl)-3-ethylcyclohexyl]-4-hydroxycyclohexan-1-one

Drug info:

PubChemData

Smile

CCC(C)(CN)C1(CCC(CC1)C(F)(F)F)O

DOS

IR

Vibrations