Geometry & MOs

Info

ID:	333071
PubChem CID:	127251495
Reduced:	FN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	435.176976
ΔH_f, kcal/mol:	-144.93
Dipole, Da:	4.17
IP(EA), eV:	-9.4(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CNC(=O)C)CC3=CC=C(C=C3)F

DOS

IR

Vibrations