Geometry & MOs

Info

ID:	421029
PubChem CID:	135115255
Reduced:	ON6C22H32 (1)
Stoich.:	AB6C22D32 (1)
Weight, g/mol:	379.150761
ΔH_f, kcal/mol:	6.76
Dipole, Da:	3.13
IP(EA), eV:	-8.77(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)NCC(C3=CN=CC=C3)N4CCCCC4

DOS

IR

Vibrations