Geometry & MOs

Info

ID:	275574
PubChem CID:	103816639
Reduced:	BrNO2F3C14H15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	364.03981
ΔH_f, kcal/mol:	-209.06
Dipole, Da:	3.44
IP(EA), eV:	-9.78(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-5-(trifluoromethyl)phenyl]-(2,4-dimethylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CC1COCCNC(=O)C2=C(C=CC(=C2)C(F)(F)F)Br

DOS

IR

Vibrations