Geometry & MOs

Info

ID:	184576
PubChem CID:	77178647
Reduced:	N3O4C33H41 (1)
Stoich.:	A3B4C33D41 (1)
Weight, g/mol:	364.100867
ΔH_f, kcal/mol:	-101.04
Dipole, Da:	3.12
IP(EA), eV:	-8.84(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1,3-diazinan-2-one;2-amino-1,4-dihydropurin-6-one;phosphoric acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)C(CCC3CCN(CC3C(=O)O)C4CC(C4)C5=CC=CC=C5)N6CCOCC6

DOS

IR

Vibrations