Geometry & MOs

Info

ID:	41361
PubChem CID:	8145724
Reduced:	FSN5C21H24 (1)
Stoich.:	ABC5D21E24 (1)
Weight, g/mol:	356.190006
ΔH_f, kcal/mol:	48.36
Dipole, Da:	4.95
IP(EA), eV:	-8.34(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-methoxy-4-prop-2-enylphenol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=NN(C2=S)CN3CCN(CC3)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations