Geometry & MOs

Info

ID:	80443
PubChem CID:	49834482
Reduced:	NO2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	229.086957
ΔH_f, kcal/mol:	-195.05
Dipole, Da:	2.06
IP(EA), eV:	-9.69(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethanamine;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)C2=CC=C(C=C2)[C@@H]3CCC(=O)C3

DOS

IR

Vibrations