Geometry & MOs

Info

ID:	295864
PubChem CID:	117546173
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-82.12
Dipole, Da:	4.71
IP(EA), eV:	-8.72(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(1,3-benzodioxol-5-yl)oxetan-3-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCNCC1(COC1)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations