Geometry & MOs

Info

ID:	7281
PubChem CID:	71912
Reduced:	NO5H19C20 (1)
Stoich.:	AB5C19D20 (1)
Weight, g/mol:	353.126323
ΔH_f, kcal/mol:	-143.38
Dipole, Da:	6.2
IP(EA), eV:	-8.67(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-methoxy-3-(4-methoxybenzoyl)-2-methylindol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1CC(=O)O)C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations