Geometry & MOs

Info

ID:	372175
PubChem CID:	131294152
Reduced:	NOF3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	220.051574
ΔH_f, kcal/mol:	-168.0
Dipole, Da:	2.94
IP(EA), eV:	-9.65(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)propanenitrile

Drug info:

PubChemData

Smile

C=C[C@H](C1=C(C=C(C=C1)C(F)(F)F)O)N

DOS

IR

Vibrations