Geometry & MOs

Info

ID:	361375
PubChem CID:	127303241
Reduced:	O2N5C16H23 (1)
Stoich.:	A2B5C16D23 (1)
Weight, g/mol:	337.165108
ΔH_f, kcal/mol:	-34.5
Dipole, Da:	5.37
IP(EA), eV:	-9.6(0.06)
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)-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CC(=O)N2CCN3C(=NN=C3C4CC4)C2

DOS

IR

Vibrations