Geometry & MOs

Info

ID:	202647
PubChem CID:	79705258
Reduced:	FNOC17H26 (1)
Stoich.:	ABCD17E26 (1)
Weight, g/mol:	277.130049
ΔH_f, kcal/mol:	-102.56
Dipole, Da:	2.39
IP(EA), eV:	-8.5(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(cyclohexylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-1-amine

Drug info:

PubChemData

Smile

CCN(CC)C1(CCCC1)C(C2=CC(=CC(=C2)C)F)O

DOS

IR

Vibrations