Geometry & MOs

Info

ID:	144026
PubChem CID:	53302232
Reduced:	BrNOC9H10 (1)
Stoich.:	ABCD9E10 (1)
Weight, g/mol:	269.119798
ΔH_f, kcal/mol:	-21.52
Dipole, Da:	2.49
IP(EA), eV:	-8.88(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylsulfonylpiperazin-1-yl)methyl]aniline

Drug info:

PubChemData

Smile

C1CNCC2=C1C(=C(C=C2)O)Br

DOS

IR

Vibrations