Geometry & MOs

Info

ID:	331871
PubChem CID:	127250157
Reduced:	ClN2O2C22H25 (1)
Stoich.:	AB2C2D22E25 (1)
Weight, g/mol:	418.186813
ΔH_f, kcal/mol:	-56.18
Dipole, Da:	3.08
IP(EA), eV:	-9.23(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations