Geometry & MOs

Info

ID:	26551
PubChem CID:	652633
Reduced:	ON2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	418.156243
ΔH_f, kcal/mol:	38.44
Dipole, Da:	2.64
IP(EA), eV:	-8.62(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylsulfonylpiperidin-4-yl)-2,4-dimethoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=CN2C3=CC=CC=C3

DOS

IR

Vibrations