Geometry & MOs

Info

ID:	205655
PubChem CID:	80132196
Reduced:	BrOF2N2C13H15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	328.00228
ΔH_f, kcal/mol:	-121.7
Dipole, Da:	3.93
IP(EA), eV:	-9.57(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2,6-difluorobenzoyl)piperidine-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)(CN)NC(=O)C2=C(C=C(C=C2F)Br)F

DOS

IR

Vibrations