Geometry & MOs

Info

ID:	78341
PubChem CID:	49688534
Reduced:	N2O3C25H34 (1)
Stoich.:	A2B3C25D34 (1)
Weight, g/mol:	411.179421
ΔH_f, kcal/mol:	-139.57
Dipole, Da:	5.91
IP(EA), eV:	-9.02(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-nitro-N-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)COC5=CC=CC=C5

DOS

IR

Vibrations