Geometry & MOs

Info

ID:	392395
PubChem CID:	135015342
Reduced:	NSO2H9C12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	366.141594
ΔH_f, kcal/mol:	-10.54
Dipole, Da:	3.32
IP(EA), eV:	-8.92(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-piperazin-1-yl-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N[C@@H](C(=O)O2)C3=CC=CS3

DOS

IR

Vibrations