Geometry & MOs

Info

ID:	144876
PubChem CID:	53427232
Reduced:	SN2O2C7H12 (1)
Stoich.:	AB2C2D7E12 (1)
Weight, g/mol:	276.124961
ΔH_f, kcal/mol:	-97.06
Dipole, Da:	2.76
IP(EA), eV:	-9.17(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-4-(trifluoromethyl)phenyl]-3,5-dimethylpiperazine

Drug info:

PubChemData

Smile

CC(C)(C1C(=O)NCC(=O)N1)S

DOS

IR

Vibrations