Geometry & MOs

Info

ID:	143323
PubChem CID:	53189148
Reduced:	SN2O4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	408.17731
ΔH_f, kcal/mol:	-92.57
Dipole, Da:	8.84
IP(EA), eV:	-8.75(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations