Geometry & MOs

Info

ID:	396665
PubChem CID:	135029002
Reduced:	OH6C10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	357.136493
ΔH_f, kcal/mol:	65.55
Dipole, Da:	4.69
IP(EA), eV:	-9.27(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylindol-3-yl)-phenylmethyl]-1,3-benzodioxol-5-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC(=O)C(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations