Geometry & MOs

Info

ID:	374317
PubChem CID:	131326665
Reduced:	BrOS2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	191.105862
ΔH_f, kcal/mol:	-1.59
Dipole, Da:	3.31
IP(EA), eV:	-8.27(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)propan-1-ol

Drug info:

PubChemData

Smile

COC1=CC(=C(C2=C1SC=C2)CBr)SC

DOS

IR

Vibrations