Geometry & MOs

Info

ID:	37174
PubChem CID:	8017882
Reduced:	N2O5H20C21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	377.125467
ΔH_f, kcal/mol:	-114.86
Dipole, Da:	7.45
IP(EA), eV:	-9.45(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-7-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CN(CCC#N)C(=O)COC(=O)COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations