Geometry & MOs

Info

ID:	350269
PubChem CID:	127277347
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	351.180758
ΔH_f, kcal/mol:	-55.99
Dipole, Da:	5.05
IP(EA), eV:	-9.33(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CCCOC2)C3=NN=C4N3CCC4

DOS

IR

Vibrations