Geometry & MOs

Info

ID:	165106
PubChem CID:	74501077
Reduced:	N3O3C25H36 (1)
Stoich.:	A3B3C25D36 (1)
Weight, g/mol:	425.267842
ΔH_f, kcal/mol:	-109.46
Dipole, Da:	2.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.799124
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C(=O)C=C(N1CC2=CC=C(O2)C)C)C(=O)NCC3CCC[NH+]4C3CCCC4

DOS

IR

Vibrations