Geometry & MOs

Info

ID:	375281
PubChem CID:	131485281
Reduced:	BrO2N4C9H9 (1)
Stoich.:	AB2C4D9E9 (1)
Weight, g/mol:	283.99089
ΔH_f, kcal/mol:	-20.68
Dipole, Da:	6.81
IP(EA), eV:	-10.09(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-4-bromo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC2=C(C(=N1)Br)NC(=N2)C

DOS

IR

Vibrations