Geometry & MOs

Info

ID:	79474
PubChem CID:	49755047
Reduced:	SO4N6C22H26 (1)
Stoich.:	AB4C6D22E26 (1)
Weight, g/mol:	311.209658
ΔH_f, kcal/mol:	-101.85
Dipole, Da:	6.1
IP(EA), eV:	-8.88(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[6-(2-ethoxy-2-oxoethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N2CCC(CC2)CNC(=O)C(=O)NC3=CC(=CC=C3)N4CCCC4=O

DOS

IR

Vibrations