Geometry & MOs

Info

ID:	1039
PubChem CID:	3700
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-118.33
Dipole, Da:	3.34
IP(EA), eV:	-8.72(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C)C=C2CC3=CC(=C(C(=C3C2=O)N)OC)OC

DOS

IR

Vibrations