Geometry & MOs

Info

ID:	295844
PubChem CID:	117545556
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-24.43
Dipole, Da:	2.73
IP(EA), eV:	-9.25(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]propan-1-amine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2(COC2)C(C)CN

DOS

IR

Vibrations