Geometry & MOs

Info

ID:	217819
PubChem CID:	85088431
Reduced:	N4O9C15H24 (1)
Stoich.:	A4B9C15D24 (1)
Weight, g/mol:	402.131468
ΔH_f, kcal/mol:	-373.05
Dipole, Da:	4.3
IP(EA), eV:	-9.74(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-hydroxy-4,5-dimethoxyphenyl)-3-(3-hydroxy-5-methoxyphenyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-one

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2C(C(C(O2)COC3C(C(C(O3)CN=CN)O)O)O)O

DOS

IR

Vibrations