Geometry & MOs

Info

ID:	373820
PubChem CID:	131320360
Reduced:	ON2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	282.99564
ΔH_f, kcal/mol:	-12.47
Dipole, Da:	7.05
IP(EA), eV:	-8.2(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=CC(=CN2)C=O

DOS

IR

Vibrations