Geometry & MOs

Info

ID:	348994
PubChem CID:	127274720
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-23.63
Dipole, Da:	6.11
IP(EA), eV:	-8.31(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-benzyl-1-N-methyl-4-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)OC=C2)NC(=O)C3CCN(CC3)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations