Geometry & MOs

Info

ID:	357528
PubChem CID:	127294173
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	393.227709
ΔH_f, kcal/mol:	2.55
Dipole, Da:	7.83
IP(EA), eV:	-9.28(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-cyclopropyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-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)CN3C=CC(=O)C4=CC=CC=C43

DOS

IR

Vibrations