Geometry & MOs

Info

ID:	254058
PubChem CID:	103122438
Reduced:	BrON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	271.03202
ΔH_f, kcal/mol:	27.04
Dipole, Da:	4.41
IP(EA), eV:	-9.29(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromopiperidin-1-yl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N(CCBr)CC2=CC=CC=C2

DOS

IR

Vibrations