Geometry & MOs

Info

ID:	294425
PubChem CID:	117460351
Reduced:	ClNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	285.113171
ΔH_f, kcal/mol:	-112.82
Dipole, Da:	2.87
IP(EA), eV:	-8.85(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(9-chloro-6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methylamino)ethanol

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1C2CNCCO2)Cl)OC)OC

DOS

IR

Vibrations