Geometry & MOs

Info

ID:	331890
PubChem CID:	127250176
Reduced:	F3O3N4H19C21 (1)
Stoich.:	A3B3C4D19E21 (1)
Weight, g/mol:	443.140055
ΔH_f, kcal/mol:	-142.36
Dipole, Da:	2.93
IP(EA), eV:	-9.7(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[(2-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-quinolin-6-ylmethanone

Drug info:

PubChemData

Smile

CC1=NON=C1C(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations