Geometry & MOs

Info

ID:	193504
PubChem CID:	78401653
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	433.06238
ΔH_f, kcal/mol:	-87.27
Dipole, Da:	2.54
IP(EA), eV:	-8.23(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CCNC(=O)C2C=C3C(=NC=CC3=NC2=O)C)OCC

DOS

IR

Vibrations