Geometry & MOs

Info

ID:	403128
PubChem CID:	135058846
Reduced:	NO2H19C20 (1)
Stoich.:	AB2C19D20 (1)
Weight, g/mol:	466.178024
ΔH_f, kcal/mol:	-7.53
Dipole, Da:	0.39
IP(EA), eV:	-8.62(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methoxyphenyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodioxin-3-yl]phenol

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=CC=CC=C2N1C(C=C)C3=CC=CC=C3

DOS

IR

Vibrations