Geometry & MOs

Info

ID:	351558
PubChem CID:	127280450
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	357.191323
ΔH_f, kcal/mol:	-46.28
Dipole, Da:	3.08
IP(EA), eV:	-9.23(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=C4CCCC4=NC5=CC=CC=C53

DOS

IR

Vibrations