Geometry & MOs

Info

ID:	333001
PubChem CID:	127251425
Reduced:	N3O3C24H25 (1)
Stoich.:	A3B3C24D25 (1)
Weight, g/mol:	441.166411
ΔH_f, kcal/mol:	-45.44
Dipole, Da:	5.78
IP(EA), eV:	-8.78(-0.8)
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]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=CC=CC=N3)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations