Geometry & MOs

Info

ID:	198539
PubChem CID:	79115511
Reduced:	FNOC18H24 (1)
Stoich.:	ABCD18E24 (1)
Weight, g/mol:	214.204513
ΔH_f, kcal/mol:	-77.92
Dipole, Da:	3.76
IP(EA), eV:	-9.74(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-aminocyclohexyl)-ethylamino]butan-1-ol

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)(C#N)C(C)(C2=CC=CC=C2F)O

DOS

IR

Vibrations