Geometry & MOs

Info

ID:	448268
PubChem CID:	135289790
Reduced:	ClF2N2O2H9C15 (1)
Stoich.:	AB2C2D2E9F15 (1)
Weight, g/mol:	362.112738
ΔH_f, kcal/mol:	-118.37
Dipole, Da:	4.96
IP(EA), eV:	-9.74(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[(2-methyl-1,2,4-triazole-3-carbonyl)amino]-1H-pyrrolo[2,3-b]pyridin-2-yl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC3=C(N2C(=O)O)N=C(C=C3)Cl)C(F)F

DOS

IR

Vibrations