Geometry & MOs

Info

ID:	38112
PubChem CID:	8027134
Reduced:	ON2H3C4 (2)
Stoich.:	AB2C3D4 (2)
Weight, g/mol:	226.052447
ΔH_f, kcal/mol:	15.49
Dipole, Da:	6.18
IP(EA), eV:	-10.63(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CN=C(C=C1C(=O)O)N2C=NN=C2

DOS

IR

Vibrations