Geometry & MOs

Info

ID:	394755
PubChem CID:	135023696
Reduced:	NOC10H11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	494.121297
ΔH_f, kcal/mol:	-28.69
Dipole, Da:	3.83
IP(EA), eV:	-8.96(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(furan-2-yl)-3-[4-(furan-2-yl)-3-hydroxy-4-phenylmethoxydioxetan-3-yl]-4-phenylmethoxydioxetan-3-ol

Drug info:

PubChemData

Smile

C/C=C\1/CN2CC[C@]34C(C1C[C@@H]2C3=NC5=CC=CC=C45)C(=O)OC

DOS

IR

Vibrations