Geometry & MOs

Info

ID:	184466
PubChem CID:	77163397
Reduced:	FO2N5C31H32 (1)
Stoich.:	AB2C5D31E32 (1)
Weight, g/mol:	390.002391
ΔH_f, kcal/mol:	-44.74
Dipole, Da:	7.12
IP(EA), eV:	-8.46(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)pyrazolo[3,4-c]pyridin-6-ium-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(=O)NC(C1=CC=CC=C1)C(=O)N2CCN3C(=NC(=C3NC4=CC=C(C=C4)C)C5=CC=C(C=C5)F)C2

DOS

IR

Vibrations