Geometry & MOs

Info

ID:	355590
PubChem CID:	127289348
Reduced:	ON6C19H26 (1)
Stoich.:	AB6C19D26 (1)
Weight, g/mol:	302.185509
ΔH_f, kcal/mol:	19.36
Dipole, Da:	5.28
IP(EA), eV:	-8.85(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-imidazol-1-yl-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=C(N=CC=C3)N4CCCC4

DOS

IR

Vibrations