Geometry & MOs

Info

ID:	355887
PubChem CID:	127290739
Reduced:	ON7C18H25 (1)
Stoich.:	AB7C18D25 (1)
Weight, g/mol:	274.154209
ΔH_f, kcal/mol:	42.6
Dipole, Da:	9.84
IP(EA), eV:	-8.65(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=NN=C(C=C3)N4CCCC4

DOS

IR

Vibrations