Geometry & MOs

Info

ID:	351555
PubChem CID:	127280447
Reduced:	O2N7C18H23 (1)
Stoich.:	A2B7C18D23 (1)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	7.88
Dipole, Da:	5.84
IP(EA), eV:	-9.41(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CN=C(C=C3)N4C=NC=N4

DOS

IR

Vibrations