Geometry & MOs

Info

ID:	271104
PubChem CID:	103643450
Reduced:	ClFN3O3H9C13 (1)
Stoich.:	ABC3D3E9F13 (1)
Weight, g/mol:	286.03169
ΔH_f, kcal/mol:	-60.63
Dipole, Da:	6.86
IP(EA), eV:	-9.32(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-1H-pyrrol-2-yl)-(3-methoxypiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=C(C=CC(=C2)F)Cl)[N+](=O)[O-])N

DOS

IR

Vibrations