Geometry & MOs

Info

ID:	341391
PubChem CID:	127264084
Reduced:	N3C15H19 (1)
Stoich.:	A3B15C19 (1)
Weight, g/mol:	201.055656
ΔH_f, kcal/mol:	49.34
Dipole, Da:	2.99
IP(EA), eV:	-8.47(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(1,3-benzodioxol-5-yl)ethanamine;hydrochloride

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=C1N=CC=C2)N3CCNCC3

DOS

IR

Vibrations