Geometry & MOs

Info

ID:	73382
PubChem CID:	48417573
Reduced:	OSN5H13C16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	281.102508
ΔH_f, kcal/mol:	84.25
Dipole, Da:	5.15
IP(EA), eV:	-9.36(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC2=CC=CC=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations