Geometry & MOs

Info

ID:	155183
PubChem CID:	56320932
Reduced:	ClO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	432.123167
ΔH_f, kcal/mol:	7.13
Dipole, Da:	3.75
IP(EA), eV:	-9.14(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)N2CCN(CC2)CC3=CN=CC=C3)Cl)N4C=CC=C4

DOS

IR

Vibrations