Geometry & MOs

Info

ID:	347213
PubChem CID:	127271754
Reduced:	OS2N5C17H23 (1)
Stoich.:	AB2C5D17E23 (1)
Weight, g/mol:	330.241962
ΔH_f, kcal/mol:	28.77
Dipole, Da:	7.17
IP(EA), eV:	-8.82(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-cyclohexyl-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)NC2CCN3C2CCCC3)C4=CC=CS4

DOS

IR

Vibrations