Geometry & MOs

Info

ID:	47056
PubChem CID:	10529215
Reduced:	NC8H10 (2)
Stoich.:	AB8C10 (2)
Weight, g/mol:	494.172939
ΔH_f, kcal/mol:	47.09
Dipole, Da:	0.73
IP(EA), eV:	-7.38(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,4-bis(phenylmethoxy)phenyl]-3-(2-hydroxyethoxy)chromen-4-one

Drug info:

PubChemData

Smile

C1CC2=C[N+](=CC=C2)CCCC3=C[N+](=CC=C3)C1

DOS

IR

Vibrations