Geometry & MOs

Info

ID:	287287
PubChem CID:	104234261
Reduced:	FON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	279.199843
ΔH_f, kcal/mol:	-51.97
Dipole, Da:	5.64
IP(EA), eV:	-8.77(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-ethylcyclohexyl)oxy-3-fluorophenyl]-N-methylethanamine

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OCCCCC#N)F)NC

DOS

IR

Vibrations