Geometry & MOs

Info

ID:	64914
PubChem CID:	29204190
Reduced:	OSF2N4H14C16 (1)
Stoich.:	ABC2D4E14F16 (1)
Weight, g/mol:	430.200491
ΔH_f, kcal/mol:	-57.64
Dipole, Da:	1.86
IP(EA), eV:	-9.18(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzylpiperidin-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N2CC(=O)NCC3=CC=CC=N3)SC(F)F

DOS

IR

Vibrations