Geometry & MOs

Info

ID:	269816
PubChem CID:	103619216
Reduced:	ClNOS2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	6.61
Dipole, Da:	1.02
IP(EA), eV:	-8.71(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CSCC1=CC=C(O1)CNCCC2=CC=C(S2)Cl

DOS

IR

Vibrations