Geometry & MOs

Info

ID:	193273
PubChem CID:	78367873
Reduced:	N4O5C15H18 (1)
Stoich.:	A4B5C15D18 (1)
Weight, g/mol:	420.203565
ΔH_f, kcal/mol:	-191.85
Dipole, Da:	9.12
IP(EA), eV:	-9.28(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-[2-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-dimethyl-5H-purin-7-ium-2,6-dione

Drug info:

PubChemData

Smile

CN1C(CC(=O)N(C1=O)C)NC(=O)COC(=O)C2=CC=C(C=C2)N

DOS

IR

Vibrations