Geometry & MOs

Info

ID:	355376
PubChem CID:	127288437
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	339.180758
ΔH_f, kcal/mol:	35.3
Dipole, Da:	10.76
IP(EA), eV:	-9.13(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)C3=CC=C4CCC5=C4C3=CC=C5

DOS

IR

Vibrations