Geometry & MOs

Info

ID:	282140
PubChem CID:	103916892
Reduced:	BrN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	282.03678
ΔH_f, kcal/mol:	-57.7
Dipole, Da:	3.46
IP(EA), eV:	-9.46(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-bromopyridin-2-yl)-(2,4-dimethylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

COCC1CCN(C1)C(=O)C2=NC(=CC=C2)Br

DOS

IR

Vibrations