Geometry & MOs

Info

ID:	331924
PubChem CID:	127250210
Reduced:	ClN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	421.161326
ΔH_f, kcal/mol:	-92.0
Dipole, Da:	3.52
IP(EA), eV:	-9.39(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)N1CCOC(C1)C2=NC=C(C=C2)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations