Geometry & MOs

Info

ID:	372253
PubChem CID:	131294703
Reduced:	SN3O4C6H9 (1)
Stoich.:	AB3C4D6E9 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	-119.45
Dipole, Da:	6.61
IP(EA), eV:	-11.07(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dimethyl-1-benzofuran-6-yl)butan-1-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)CCC1=NC(=NN1)C(=O)O

DOS

IR

Vibrations