Geometry & MOs

Info

ID:	293225
PubChem CID:	117377537
Reduced:	NO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-90.28
Dipole, Da:	1.95
IP(EA), eV:	-8.44(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-2-amine

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1CC(C)(C)N)OCCO2

DOS

IR

Vibrations