Geometry & MOs

Info

ID:	364775
PubChem CID:	127316113
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	288.169859
ΔH_f, kcal/mol:	-78.0
Dipole, Da:	5.19
IP(EA), eV:	-9.06(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NCC(=O)N2CCN(CC2)CC3=NC=CN3

DOS

IR

Vibrations