Geometry & MOs

Info

ID:	189736
PubChem CID:	77897766
Reduced:	OSN5C19H25 (1)
Stoich.:	ABC5D19E25 (1)
Weight, g/mol:	374.139033
ΔH_f, kcal/mol:	6.87
Dipole, Da:	4.85
IP(EA), eV:	-8.84(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]-3-methyl-5H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2CC(NN2)C(=O)NCC3=NC(=C4CCCCC4=N3)C

DOS

IR

Vibrations