Geometry & MOs

Info

ID:	327695
PubChem CID:	126690763
Reduced:	NSC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	215.00581
ΔH_f, kcal/mol:	33.64
Dipole, Da:	3.49
IP(EA), eV:	-8.06(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2,3,6,7-tetrahydropyrrolo[2,3-b]pyridin-1-amine

Drug info:

PubChemData

Smile

CC1=C(C(=CN1)SC)/C=C(/C)\C=C

DOS

IR

Vibrations