Geometry & MOs

Info

ID:	28608
PubChem CID:	828601
Reduced:	ON4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	345.08406
ΔH_f, kcal/mol:	21.92
Dipole, Da:	1.59
IP(EA), eV:	-9.12(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-bromophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine

Drug info:

PubChemData

Smile

CCCC(=O)N1C(=NC(=N1)C2=CC=CC=C2)N

DOS

IR

Vibrations