Geometry & MOs

Info

ID:	79764
PubChem CID:	49830285
Reduced:	ClN5H8C11 (1)
Stoich.:	AB5C8D11 (1)
Weight, g/mol:	343.132077
ΔH_f, kcal/mol:	83.58
Dipole, Da:	2.48
IP(EA), eV:	-9.12(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC2=C(NC=C2C3=CC(=NC(=N3)N)Cl)N=C1

DOS

IR

Vibrations