Geometry & MOs

Info

ID:	41184
PubChem CID:	8145414
Reduced:	FO2N4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	314.179442
ΔH_f, kcal/mol:	-82.38
Dipole, Da:	5.8
IP(EA), eV:	-8.29(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4,5-dimethylphenol

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CN2CCN(CC2)C3=CC=C(C=C3)F)C4=CC5=C(CCC5)C=C4

DOS

IR

Vibrations