Geometry & MOs

Info

ID:	254111
PubChem CID:	103122788
Reduced:	BrON4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	315.05824
ΔH_f, kcal/mol:	47.23
Dipole, Da:	3.51
IP(EA), eV:	-9.67(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-bromoethoxy)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC1(CNC(=O)C2=C3C=NC=CN3N=C2)CBr

DOS

IR

Vibrations