Geometry & MOs

Info

ID:	277181
PubChem CID:	103827179
Reduced:	BrClNO2C14H15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	340.99305
ΔH_f, kcal/mol:	8.28
Dipole, Da:	4.89
IP(EA), eV:	-9.84(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)C3=CC(=CC(=C3)Br)Cl)O

DOS

IR

Vibrations