Geometry & MOs

Info

ID:	193206
PubChem CID:	78356522
Reduced:	OSN5C25H27 (1)
Stoich.:	ABC5D25E27 (1)
Weight, g/mol:	358.175339
ΔH_f, kcal/mol:	59.56
Dipole, Da:	5.93
IP(EA), eV:	-8.64(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N2C3NN=C(N3C4CCCCC4C2=O)SCC5=CC=CC=C5C#N

DOS

IR

Vibrations