Geometry & MOs

Info

ID:	240929
PubChem CID:	93618246
Reduced:	O2N5C15H21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-20.26
Dipole, Da:	4.13
IP(EA), eV:	-9.72(-1.16)
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]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

Drug info:

PubChemData

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C[C@H](C(=O)NCC1=CN=C(C=C1)N2C=NC=N2)OCC(C)C

DOS

IR

Vibrations