Geometry & MOs

Info

ID:	169814
PubChem CID:	75154221
Reduced:	O2N3C25H37 (1)
Stoich.:	A2B3C25D37 (1)
Weight, g/mol:	501.300285
ΔH_f, kcal/mol:	-91.63
Dipole, Da:	5.32
IP(EA), eV:	-7.91(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-3-[4-(4-morpholin-4-ylpiperidine-1-carbonyl)phenyl]-8-propoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)N2CCC(C2)N3CCCC3C)N4CCC5(C4=O)CCOCC5

DOS

IR

Vibrations