Geometry & MOs

Info

ID:	361391
PubChem CID:	127303257
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	337.165108
ΔH_f, kcal/mol:	15.4
Dipole, Da:	10.14
IP(EA), eV:	-8.82(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)C(=O)C4=CC=C(C=C4)N5CCOCC5

DOS

IR

Vibrations