Geometry & MOs

Info

ID:	361388
PubChem CID:	127303254
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	337.165108
ΔH_f, kcal/mol:	-40.9
Dipole, Da:	5.67
IP(EA), eV:	-9.34(0.05)
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)-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCCC1C(=O)N2CCN3C(=NN=C3C4CC4)C2

DOS

IR

Vibrations