Geometry & MOs

Info

ID:	293321
PubChem CID:	117384361
Reduced:	FON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	252.163791
ΔH_f, kcal/mol:	-73.14
Dipole, Da:	2.77
IP(EA), eV:	-8.8(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-fluoroethyl)-4-(2-piperazin-1-ylethyl)phenol

Drug info:

PubChemData

Smile

CNCCC1=CC(=C(C=C1)CN2CCOCC2)F

DOS

IR

Vibrations