Geometry & MOs

Info

ID:	193085
PubChem CID:	78340045
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	400.198479
ΔH_f, kcal/mol:	-130.23
Dipole, Da:	5.14
IP(EA), eV:	-8.76(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(5-tert-butyl-2-methoxyphenyl)-2-(1,3-dimethyl-2,6-dioxo-5H-purin-7-ium-7-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3C4CCCCC4NN3)C

DOS

IR

Vibrations