Geometry & MOs

Info

ID:	168575
PubChem CID:	74989522
Reduced:	O2N3H15C17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	474.188983
ΔH_f, kcal/mol:	33.39
Dipole, Da:	3.61
IP(EA), eV:	-8.84(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-methoxyethoxy)-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC(=NNC2=CC=CC=C2C#N)C(=O)C

DOS

IR

Vibrations