Geometry & MOs

Info

ID:	351493
PubChem CID:	127280381
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	356.196074
ΔH_f, kcal/mol:	-32.16
Dipole, Da:	6.52
IP(EA), eV:	-9.09(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C(=O)N2CCN(CC2)C(=O)CN3CCCC3)C4CC4

DOS

IR

Vibrations