Geometry & MOs

Info

ID:	332026
PubChem CID:	127250312
Reduced:	O3N5C24H25 (1)
Stoich.:	A3B5C24D25 (1)
Weight, g/mol:	413.153955
ΔH_f, kcal/mol:	-36.73
Dipole, Da:	5.03
IP(EA), eV:	-9.14(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(2-fluorophenyl)pyridin-2-yl]morpholin-4-yl]-quinolin-8-ylmethanone

Drug info:

PubChemData

Smile

C1COC(CN1CC(=O)NCC2=CC=CC=N2)C3=NC=C(C=C3)C4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations