Geometry & MOs

Info

ID:	143707
PubChem CID:	53251428
Reduced:	NC5H5 (4)
Stoich.:	AB5C5 (4)
Weight, g/mol:	434.113665
ΔH_f, kcal/mol:	90.4
Dipole, Da:	3.8
IP(EA), eV:	-8.32(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]piperazin-2-one

Drug info:

PubChemData

Smile

C1CN2CCC1C3=C(C2)C4=CC=CC(=C4N3)/C=C\C5=CN=CN=C5

DOS

IR

Vibrations