Geometry & MOs

Info

ID:	355574
PubChem CID:	127289332
Reduced:	ON6C21H30 (1)
Stoich.:	AB6C21D30 (1)
Weight, g/mol:	339.180758
ΔH_f, kcal/mol:	9.96
Dipole, Da:	7.41
IP(EA), eV:	-8.65(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylbenzotriazol-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=CN=C(C=C3)N4CCCCCC4

DOS

IR

Vibrations