Geometry & MOs

Info

ID:	332995
PubChem CID:	127251419
Reduced:	SO2N4C24H28 (1)
Stoich.:	AB2C4D24E28 (1)
Weight, g/mol:	406.186813
ΔH_f, kcal/mol:	-25.47
Dipole, Da:	3.83
IP(EA), eV:	-8.89(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=CC(=NC(=C2)C)C3CN(CCO3)CC(=O)NC4=NC=C(S4)C

DOS

IR

Vibrations