Geometry & MOs

Info

ID:	293516
PubChem CID:	117392204
Reduced:	ClNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	255.066221
ΔH_f, kcal/mol:	-98.71
Dipole, Da:	1.79
IP(EA), eV:	-9.28(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-one

Drug info:

PubChemData

Smile

C1COC2=C(C=CC(=C2OC1)Cl)C(=O)CCN

DOS

IR

Vibrations