Geometry & MOs

Info

ID:	407633
PubChem CID:	135080382
Reduced:	OF3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	217.085127
ΔH_f, kcal/mol:	-169.83
Dipole, Da:	4.1
IP(EA), eV:	-9.5(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(Z)-3-(hydroxyamino)but-2-en-2-yl]pyrrolo[2,3-b]pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC(=C)C(F)(F)F

DOS

IR

Vibrations