Geometry & MOs

Info

ID:	69238
PubChem CID:	46530501
Reduced:	BrF2N2O3H17C20 (1)
Stoich.:	AB2C2D3E17F20 (1)
Weight, g/mol:	408.204907
ΔH_f, kcal/mol:	-161.69
Dipole, Da:	6.68
IP(EA), eV:	-9.69(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-(4-methylbenzoyl)benzoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)F)F)N(C)C(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

DOS

IR

Vibrations