Geometry & MOs

Info

ID:	185163
PubChem CID:	77263941
Reduced:	O4C29H34 (1)
Stoich.:	A4B29C34 (1)
Weight, g/mol:	416.253589
ΔH_f, kcal/mol:	-126.59
Dipole, Da:	3.29
IP(EA), eV:	-9.35(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,8-dimethyl-6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4a,5,6,7,8,8a-hexahydropyrimido[5,4-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(COC(C(=O)O)C(C)(C)C)COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations