Geometry & MOs

Info

ID:	336783
PubChem CID:	127255790
Reduced:	IO3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	293.89387
ΔH_f, kcal/mol:	-103.19
Dipole, Da:	4.18
IP(EA), eV:	-9.41(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrobromide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CCC(=O)O)O)I

DOS

IR

Vibrations