Geometry & MOs

Info

ID:	282176
PubChem CID:	103917991
Reduced:	ClNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	302.01854
ΔH_f, kcal/mol:	-82.65
Dipole, Da:	3.49
IP(EA), eV:	-8.88(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(3-bromo-4-chlorophenyl)methyl]-3-methylpiperazine

Drug info:

PubChemData

Smile

C1CN(C[C@H]1O)CC2=C(C(=CC=C2)Cl)O

DOS

IR

Vibrations