Geometry & MOs

Info

ID:	47898
PubChem CID:	10535772
Reduced:	OS2C8H16 (1)
Stoich.:	AB2C8D16 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-52.19
Dipole, Da:	4.54
IP(EA), eV:	-8.14(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-yl)butan-1-amine

Drug info:

PubChemData

Smile

CCC1CSCCSCCO1

DOS

IR

Vibrations