Geometry & MOs

Info

ID:	126525
PubChem CID:	50967145
Reduced:	N5C18H23 (1)
Stoich.:	A5B18C23 (1)
Weight, g/mol:	261.170194
ΔH_f, kcal/mol:	78.7
Dipole, Da:	5.65
IP(EA), eV:	-8.86(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-imidazol-2-ylmethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C(C)C)C2=NNC(=N2)CCC3=CC=CC=C3

DOS

IR

Vibrations