Geometry & MOs

Info

ID:	64892
PubChem CID:	29204159
Reduced:	SN2O4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	430.200491
ΔH_f, kcal/mol:	-158.91
Dipole, Da:	9.16
IP(EA), eV:	-9.08(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzylpiperidin-1-yl)-5-nitro-N-(pyridin-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C[C@@H](COC)NC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

DOS

IR

Vibrations