Geometry & MOs

Info

ID:	30159
PubChem CID:	840379
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	300.02219
ΔH_f, kcal/mol:	-31.21
Dipole, Da:	8.06
IP(EA), eV:	-8.91(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=NNC(=O)CC2=CC=C(C=C2)OC)C)C

DOS

IR

Vibrations