Geometry & MOs

Info

ID:	28632
PubChem CID:	828699
Reduced:	N2C8H9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	345.08406
ΔH_f, kcal/mol:	73.13
Dipole, Da:	3.97
IP(EA), eV:	-8.12(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-bromophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine

Drug info:

PubChemData

Smile

CCCN1C=NC2=C1C=CC(=C2)NCC3=CC=CC=N3

DOS

IR

Vibrations