Geometry & MOs

Info

ID:	279122
PubChem CID:	103841448
Reduced:	BrClNOC12H13 (1)
Stoich.:	ABCDE12F13 (1)
Weight, g/mol:	344.0291
ΔH_f, kcal/mol:	-16.17
Dipole, Da:	4.28
IP(EA), eV:	-9.86(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-chlorophenyl)-(4-propylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C1CC1)NC(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations