Geometry & MOs

Info

ID:	189849
PubChem CID:	77914188
Reduced:	BrN2O2C18H25 (1)
Stoich.:	AB2C2D18E25 (1)
Weight, g/mol:	496.123339
ΔH_f, kcal/mol:	-83.65
Dipole, Da:	4.49
IP(EA), eV:	-8.8(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[3,4-dihydroxy-5-[2-[(4-methoxyphenyl)methylamino]-7-methyl-6-oxo-5H-purin-7-ium-9-yl]oxolan-2-yl]methyl phosphate

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCCCC2NC(=O)OC3=CC=C(C=C3)Br

DOS

IR

Vibrations