Geometry & MOs

Info

ID:	1050
PubChem CID:	3717
Reduced:	ClNO4H14C19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	355.061136
ΔH_f, kcal/mol:	-105.56
Dipole, Da:	7.56
IP(EA), eV:	-9.37(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-chlorobenzoyl)-5-formyl-2-methylindol-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)C=O)CC(=O)O

DOS

IR

Vibrations