Geometry & MOs

Info

ID:	307652
PubChem CID:	125307923
Reduced:	SN4C13H14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	372.158626
ΔH_f, kcal/mol:	128.59
Dipole, Da:	3.77
IP(EA), eV:	-8.5(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(2-methoxyphenyl)-2H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C2=C(N=NC(=S)[C@H]2NN1C3=CC=CC=C3)C

DOS

IR

Vibrations