Geometry & MOs

Info

ID:	73124
PubChem CID:	48417038
Reduced:	OSN5H11C15 (1)
Stoich.:	ABC5D11E15 (1)
Weight, g/mol:	323.149458
ΔH_f, kcal/mol:	84.82
Dipole, Da:	2.39
IP(EA), eV:	-8.98(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations