Geometry & MOs

Info

ID:	294536
PubChem CID:	117467982
Reduced:	ClNO5C12H16 (1)
Stoich.:	ABC5D12E16 (1)
Weight, g/mol:	289.061804
ΔH_f, kcal/mol:	-188.18
Dipole, Da:	5.83
IP(EA), eV:	-8.59(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chloro-2-methyl-1H-indol-5-yl)-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1OC)C(CN)C(=O)O)OC)Cl

DOS

IR

Vibrations