Geometry & MOs

Info

ID:	293515
PubChem CID:	117392201
Reduced:	ClNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	255.066221
ΔH_f, kcal/mol:	-97.14
Dipole, Da:	4.46
IP(EA), eV:	-9.14(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)propan-1-one

Drug info:

PubChemData

Smile

C1COC2=C(C(=C(C=C2)C(=O)CCN)Cl)OC1

DOS

IR

Vibrations