Geometry & MOs

Info

ID:	407688
PubChem CID:	135080439
Reduced:	OSH10C13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	16.9
Dipole, Da:	3.57
IP(EA), eV:	-9.14(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylpyrrolo[3,2-b]pyridin-1-yl)ethanone

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2C1=O)C3=CSC=C3

DOS

IR

Vibrations