Geometry & MOs

Info

ID:	296355
PubChem CID:	117569774
Reduced:	N3C13H21 (1)
Stoich.:	A3B13C21 (1)
Weight, g/mol:	283.06841
ΔH_f, kcal/mol:	19.06
Dipole, Da:	2.15
IP(EA), eV:	-8.04(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-methyl-N-(piperazin-1-ylmethyl)aniline

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NCN2CCNCC2

DOS

IR

Vibrations