Geometry & MOs

Info

ID:	78344
PubChem CID:	49688540
Reduced:	N2O5C23H28 (1)
Stoich.:	A2B5C23D28 (1)
Weight, g/mol:	430.08921
ΔH_f, kcal/mol:	-160.83
Dipole, Da:	8.78
IP(EA), eV:	-8.87(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C(=O)NCC2CCN(CC2)C(=O)COC3=CC=CC=C3

DOS

IR

Vibrations