Geometry & MOs

Info

ID:	193553
PubChem CID:	78406305
Reduced:	NO6C34H37 (1)
Stoich.:	AB6C34D37 (1)
Weight, g/mol:	355.151863
ΔH_f, kcal/mol:	-187.11
Dipole, Da:	11.72
IP(EA), eV:	-8.5(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-dimethyl-8-[2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-prop-2-enyl-5H-purin-7-ium-2,6-dione

Drug info:

PubChemData

Smile

CCCCCCC1C=C2C3=CC(=C4C=C5C=C(C(=O)C=C5OC4=O)CCCCCC)NC(=C3C(=O)OC2=CC1=O)C

DOS

IR

Vibrations