Geometry & MOs

Info

ID:	354282
PubChem CID:	127286246
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	-142.37
Dipole, Da:	2.21
IP(EA), eV:	-8.15(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(CNC(=O)NC2=CC3=C(C=C2)OCCC3)O

DOS

IR

Vibrations