Geometry & MOs

Info

ID:	374135
PubChem CID:	131324145
Reduced:	SO3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	174.054161
ΔH_f, kcal/mol:	-95.66
Dipole, Da:	5.67
IP(EA), eV:	-8.67(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CS2)OC)CC(=O)O

DOS

IR

Vibrations