Geometry & MOs

Info

ID:	417763
PubChem CID:	135102665
Reduced:	FNO2C23H26 (1)
Stoich.:	ABC2D23E26 (1)
Weight, g/mol:	444.253669
ΔH_f, kcal/mol:	-101.05
Dipole, Da:	3.54
IP(EA), eV:	-9.21(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)C3=CC=CC=C3C4=CC=CC=C4F

DOS

IR

Vibrations