Geometry & MOs

Info

ID:	277186
PubChem CID:	103827202
Reduced:	BrClNO2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	373.01927
ΔH_f, kcal/mol:	-80.83
Dipole, Da:	5.5
IP(EA), eV:	-9.73(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCN(C1)C(=O)C2=CC(=CC(=C2)Br)Cl)O

DOS

IR

Vibrations