Geometry & MOs

Info

ID:	233753
PubChem CID:	92093329
Reduced:	NO2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	363.125277
ΔH_f, kcal/mol:	-74.54
Dipole, Da:	4.86
IP(EA), eV:	-8.51(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(furan-2-yl)pyridin-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)NCC2=CN=C(C=C2)C3=CC=CO3)OC

DOS

IR

Vibrations