Geometry & MOs

Info

ID:	331870
PubChem CID:	127250156
Reduced:	ClFN2O2H22C24 (1)
Stoich.:	ABC2D2E22F24 (1)
Weight, g/mol:	384.160456
ΔH_f, kcal/mol:	-67.8
Dipole, Da:	1.51
IP(EA), eV:	-9.21(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[(2-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-cyclopentylmethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CC2=CC=C(C=C2)F)C3=NC=C(C=C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations