Geometry & MOs

Info

ID:	332985
PubChem CID:	127251409
Reduced:	FN2O2C19H21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	378.155512
ΔH_f, kcal/mol:	-98.43
Dipole, Da:	2.82
IP(EA), eV:	-9.26(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations