Geometry & MOs

Info

ID:	178228
PubChem CID:	76298459
Reduced:	FBr2N2O2C13H13 (1)
Stoich.:	AB2C2D2E13F13 (1)
Weight, g/mol:	403.05315
ΔH_f, kcal/mol:	-114.45
Dipole, Da:	2.45
IP(EA), eV:	-9.94(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-2-oxopiperidin-3-yl)-2-phenylmethoxypyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1C(CNC(=O)C1NC(=O)CC2=CC(=C(C=C2)F)Br)Br

DOS

IR

Vibrations