Geometry & MOs

Info

ID:	332997
PubChem CID:	127251421
Reduced:	FN2O2C24H29 (1)
Stoich.:	AB2C2D24E29 (1)
Weight, g/mol:	442.16166
ΔH_f, kcal/mol:	-112.03
Dipole, Da:	1.44
IP(EA), eV:	-9.32(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3CCCCC3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations