Geometry & MOs

Info

ID:	351572
PubChem CID:	127280464
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	-99.0
Dipole, Da:	8.76
IP(EA), eV:	-9.0(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4CCNC4=O

DOS

IR

Vibrations