Geometry & MOs

Info

ID:	192077
PubChem CID:	78223855
Reduced:	N2O5C31H34 (1)
Stoich.:	A2B5C31D34 (1)
Weight, g/mol:	376.141452
ΔH_f, kcal/mol:	-137.04
Dipole, Da:	7.79
IP(EA), eV:	-8.49(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-butan-2-ylidenehydrazinyl)-7-[(2-chlorophenyl)methyl]-3-methyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC1CCC2C(C1)C(=O)C(=CO2)C3C4=C(CC(CC4=O)C5=CC(=C(C=C5)OC)OC)NC6=CC=CC=C6N3

DOS

IR

Vibrations