Geometry & MOs

Info

ID:	172463
PubChem CID:	75512816
Reduced:	BrFN2O2H8C10 (1)
Stoich.:	ABC2D2E8F10 (1)
Weight, g/mol:	285.220498
ΔH_f, kcal/mol:	-82.18
Dipole, Da:	2.14
IP(EA), eV:	-9.52(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-phenylacetonitrile

Drug info:

PubChemData

Smile

COCN1C=NC2=C(C1=O)C=C(C=C2F)Br

DOS

IR

Vibrations