Geometry & MOs

Info

ID:	299402
PubChem CID:	117682816
Reduced:	SF2O3N5C20H21 (1)
Stoich.:	AB2C3D5E20F21 (1)
Weight, g/mol:	388.11503
ΔH_f, kcal/mol:	-134.4
Dipole, Da:	4.89
IP(EA), eV:	-9.21(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-6-methylphenol

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C(=O)NC2=NC3=C(S2)C=CC(=C3)F)C4=C(C=C(C=N4)[C@@H](CO)O)F

DOS

IR

Vibrations