Geometry & MOs

Info

ID:	254066
PubChem CID:	103122489
Reduced:	BrON4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	297.04767
ΔH_f, kcal/mol:	19.52
Dipole, Da:	3.07
IP(EA), eV:	-8.86(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=C3C=CC=CN3N=C2)CCBr

DOS

IR

Vibrations