Geometry & MOs

Info

ID:	217132
PubChem CID:	85087303
Reduced:	O2N5H17C18 (1)
Stoich.:	A2B5C17D18 (1)
Weight, g/mol:	334.187915
ΔH_f, kcal/mol:	109.29
Dipole, Da:	10.93
IP(EA), eV:	-8.88(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[3-(2,6-dioxo-1,3-dipropylpurin-3-ium-8-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CCN1C=CC(=NC1=NNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations