Geometry & MOs

Info

ID:	144798
PubChem CID:	53415328
Reduced:	BrNOH12C13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	254.04186
ΔH_f, kcal/mol:	4.88
Dipole, Da:	2.42
IP(EA), eV:	-9.19(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-4-methylpiperazine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C(C2=CC=C(C=C2)O)N

DOS

IR

Vibrations