Geometry & MOs

Info

ID:	193373
PubChem CID:	78383647
Reduced:	SN4O4C20H26 (1)
Stoich.:	AB4C4D20E26 (1)
Weight, g/mol:	330.146724
ΔH_f, kcal/mol:	-120.6
Dipole, Da:	2.88
IP(EA), eV:	-8.55(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-3,6-dimethyl-2,3-dihydro-1-benzofuran-5-ol;5-methyl-1,3-benzodioxole

Drug info:

PubChemData

Smile

CCC1=NN(C(=O)C2N1C3=C(C2)SC=C3)CC(=O)N4CCCC(C4)C(=O)OCC

DOS

IR

Vibrations