Geometry & MOs

Info

ID:	307568
PubChem CID:	125307525
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	440.267508
ΔH_f, kcal/mol:	9.16
Dipole, Da:	3.07
IP(EA), eV:	-8.26(-0.67)
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]-2-(4-butyl-7-methyl-2-oxochromen-5-yl)oxyacetamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)[C@@H](C=N2)C(=O)CN3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations