Geometry & MOs

Info

ID:	448284
PubChem CID:	135289898
Reduced:	NO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	331.14331
ΔH_f, kcal/mol:	-145.83
Dipole, Da:	6.1
IP(EA), eV:	-9.25(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2N1C(=O)O)CC(C(=O)O)N

DOS

IR

Vibrations