Geometry & MOs

Info

ID:	270629
PubChem CID:	103637381
Reduced:	FNC17H20 (1)
Stoich.:	ABC17D20 (1)
Weight, g/mol:	267.147058
ΔH_f, kcal/mol:	-22.32
Dipole, Da:	3.19
IP(EA), eV:	-9.09(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(2-hydroxy-4-methylpentyl)amino]methyl]-1,3-benzodioxol-5-ol

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNCC2=C(C=C(C=C2)F)C

DOS

IR

Vibrations