Geometry & MOs

Info

ID:	353612
PubChem CID:	127285189
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-162.47
Dipole, Da:	10.22
IP(EA), eV:	-9.01(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-acetylpiperidin-4-yl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CNC(=O)C2=CC=C(C=C2)N3CCCS3(=O)=O

DOS

IR

Vibrations