Geometry & MOs

Info

ID:	277108
PubChem CID:	103826764
Reduced:	BrClNO2C13H17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	342.01345
ΔH_f, kcal/mol:	-83.34
Dipole, Da:	4.01
IP(EA), eV:	-10.01(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CCCCOCCNC(=O)C1=CC(=CC(=C1)Br)Cl

DOS

IR

Vibrations