Geometry & MOs

Info

ID:	371663
PubChem CID:	131270216
Reduced:	BrN2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	207.075625
ΔH_f, kcal/mol:	56.95
Dipole, Da:	6.39
IP(EA), eV:	-9.8(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-amino-8-methyl-7H-purine-2-carboxylate

Drug info:

PubChemData

Smile

C1CC(C1)[C@@H](C2=CC(=C(C=C2)C#N)Br)N

DOS

IR

Vibrations