Geometry & MOs

Info

ID:	436757
PubChem CID:	135211202
Reduced:	ON4C25H26 (1)
Stoich.:	AB4C25D26 (1)
Weight, g/mol:	412.152203
ΔH_f, kcal/mol:	33.13
Dipole, Da:	9.87
IP(EA), eV:	-8.55(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-6,6-dimethyl-8-[(3R)-2,3,4-trihydroxybutoxy]naphtho[3,2-b][1]benzofuran-11-one

Drug info:

PubChemData

Smile

C[C@H]1CN(CC(N1)C)C2=CC3=C(C=C2)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N

DOS

IR

Vibrations