Geometry & MOs

Info

ID:	334224
PubChem CID:	127252776
Reduced:	ClN3O3C17H26 (1)
Stoich.:	AB3C3D17E26 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-146.15
Dipole, Da:	5.39
IP(EA), eV:	-8.78(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)NC[C@@H]2CCCN3[C@@H]2CCCC3.Cl

DOS

IR

Vibrations