Geometry & MOs

Info

ID:	417160
PubChem CID:	135091551
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	415.140214
ΔH_f, kcal/mol:	12.41
Dipole, Da:	4.03
IP(EA), eV:	-9.27(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]pyrimidin-4-yl]piperidin-3-ol

Drug info:

PubChemData

Smile

CCCC1=NC(=NO1)N2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations