Geometry & MOs

Info

ID:	403694
PubChem CID:	135061374
Reduced:	O2F3N3H20C24 (1)
Stoich.:	A2B3C3D20E24 (1)
Weight, g/mol:	237.090212
ΔH_f, kcal/mol:	-155.27
Dipole, Da:	2.8
IP(EA), eV:	-8.36(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-3-nitroso-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1CC3=CC=CC=C3)N=C(C=C2C(F)(F)F)C4=CC=CC=C4)N

DOS

IR

Vibrations