Geometry & MOs

Info

ID:	191619
PubChem CID:	78168784
Reduced:	O3N4C10H15 (1)
Stoich.:	A3B4C10D15 (1)
Weight, g/mol:	346.05148
ΔH_f, kcal/mol:	-83.19
Dipole, Da:	3.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.805713
Charge, e:	1

Chem-info

IUPAC name:

2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethylpurin-3-ium-2,6-dione

Drug info:

PubChemData

Smile

CCOC1=[N+](C2C(=N1)N(C(=O)N(C2=O)C)C)C

DOS

IR

Vibrations