Geometry & MOs

Info

ID:	176229
PubChem CID:	76013627
Reduced:	OF2N5C23H25 (1)
Stoich.:	AB2C5D23E25 (1)
Weight, g/mol:	492.212118
ΔH_f, kcal/mol:	-30.37
Dipole, Da:	8.06
IP(EA), eV:	-8.26(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(4-acetylphenyl)piperazin-1-yl]-3-(1,3-benzodioxol-5-yl)-4a,5,6,7,8,8a-hexahydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2CC3C4NN(C(=O)N4C=CN3N2)CC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations