Geometry & MOs

Info

ID:	429321
PubChem CID:	135169290
Reduced:	N3C9H14 (2)
Stoich.:	A3B9C14 (2)
Weight, g/mol:	346.95893
ΔH_f, kcal/mol:	42.89
Dipole, Da:	4.98
IP(EA), eV:	-8.85(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-5-(methylcarbamoyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CC(C)N1C=C2CNC(CC2=N1)CC(C)C3=CN4CCNCC4=N3

DOS

IR

Vibrations