Geometry & MOs

Info

ID:	240937
PubChem CID:	93618284
Reduced:	OSN2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	-34.32
Dipole, Da:	4.26
IP(EA), eV:	-8.67(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-cyclopropyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CC[C@@H]([C@H]2C1)NC(=O)CCC3=CSC=C3

DOS

IR

Vibrations