Geometry & MOs

Info

ID:	182430
PubChem CID:	76888583
Reduced:	FO3N4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	337.21139
ΔH_f, kcal/mol:	-99.86
Dipole, Da:	6.54
IP(EA), eV:	-8.98(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-8-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-7-methyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2CNNC2C3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4O

DOS

IR

Vibrations