Geometry & MOs

Info

ID:	277079
PubChem CID:	103826631
Reduced:	BrClFNO2H10C14 (1)
Stoich.:	ABCDE2F10G14 (1)
Weight, g/mol:	374.00328
ΔH_f, kcal/mol:	-80.09
Dipole, Da:	5.72
IP(EA), eV:	-8.66(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)Br)Cl)F

DOS

IR

Vibrations