Geometry & MOs

Info

ID:	165105
PubChem CID:	74501076
Reduced:	N2O3C26H30 (1)
Stoich.:	A2B3C26D30 (1)
Weight, g/mol:	426.275667
ΔH_f, kcal/mol:	-60.44
Dipole, Da:	5.59
IP(EA), eV:	-8.79(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl)-2-ethyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2CN(CCC2N(C1)C(=O)C3=CC4=C(C=C3)OCCO4)CC=CC5=CC=CC=C5

DOS

IR

Vibrations