Geometry & MOs

Info

ID:	307190
PubChem CID:	125275687
Reduced:	S2N3O4C15H19 (1)
Stoich.:	A2B3C4D15E19 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-86.32
Dipole, Da:	11.6
IP(EA), eV:	-9.4(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-pyridin-2-yl-4H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)[C@H]1N=NC(=NC(=O)C2=CC=C(C=C2)OCC(C)C)S1

DOS

IR

Vibrations