Geometry & MOs

Info

ID:	364826
PubChem CID:	127316234
Reduced:	ON5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	332.159689
ΔH_f, kcal/mol:	14.53
Dipole, Da:	0.82
IP(EA), eV:	-8.34(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N2)C(=CC=C3)C(=O)N4CCN(CC4)CC5=NC=CN5

DOS

IR

Vibrations