Geometry & MOs

Info

ID:	293043
PubChem CID:	117371176
Reduced:	NO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-50.62
Dipole, Da:	2.62
IP(EA), eV:	-8.51(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1C3(CC3)CN)OCCCO2

DOS

IR

Vibrations