Geometry & MOs

Info

ID:	39506
PubChem CID:	8141077
Reduced:	O2S2F3N4C14H15 (1)
Stoich.:	A2B2C3D4E14F15 (1)
Weight, g/mol:	399.096139
ΔH_f, kcal/mol:	-176.12
Dipole, Da:	4.51
IP(EA), eV:	-9.13(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CCNC(=O)[C@H](C)SC1=NN=C(S1)NC2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations