Geometry & MOs

Info

ID:	373107
PubChem CID:	131310011
Reduced:	OSN2C7H8 (1)
Stoich.:	ABC2D7E8 (1)
Weight, g/mol:	205.09636
ΔH_f, kcal/mol:	7.42
Dipole, Da:	3.5
IP(EA), eV:	-9.28(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-5-propan-2-yl-1,2,4,5-tetrahydropyrazolo[3,4-b]pyrazine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C1=C(C=C(S1)C#N)O)N

DOS

IR

Vibrations