Geometry & MOs

Info

ID:	294132
PubChem CID:	117427476
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-92.66
Dipole, Da:	5.53
IP(EA), eV:	-8.97(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(6-chloro-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-8-yl)ethanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC2CCC2)C(=O)CN)Cl

DOS

IR

Vibrations