Geometry & MOs

Info

ID:	240931
PubChem CID:	93618267
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-111.08
Dipole, Da:	7.87
IP(EA), eV:	-8.88(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

Drug info:

PubChemData

Smile

C1CCN2CC[C@H]([C@H]2C1)NC(=O)CCCN3C4=CC=CC=C4OC3=O

DOS

IR

Vibrations