Geometry & MOs

Info

ID:	214290
PubChem CID:	84974934
Reduced:	N3O4C17H24 (1)
Stoich.:	A3B4C17D24 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-133.08
Dipole, Da:	1.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.776422
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+]3CCCC(C3)C(=O)N

DOS

IR

Vibrations