Geometry & MOs

Info

ID:	55106
PubChem CID:	17389772
Reduced:	ClN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	309.121237
ΔH_f, kcal/mol:	-84.74
Dipole, Da:	2.03
IP(EA), eV:	-9.02(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine;oxalic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCC(=O)N2)Cl

DOS

IR

Vibrations