Geometry & MOs

Info

ID:	192645
PubChem CID:	78296017
Reduced:	N3O3H23C24 (1)
Stoich.:	A3B3C23D24 (1)
Weight, g/mol:	379.209378
ΔH_f, kcal/mol:	-72.34
Dipole, Da:	7.07
IP(EA), eV:	-9.05(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-dimethyl-8-morpholin-4-ium-4-ylidene-7-(2-morpholin-4-ylethyl)-5H-purine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2C3C(NC4=C2C(=O)CCC4)N(C(=O)NC3=O)C5=CC=CC=C5

DOS

IR

Vibrations