Geometry & MOs

Info

ID:	262812
PubChem CID:	103319494
Reduced:	BrF2N4H11C12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	268.99122
ΔH_f, kcal/mol:	-11.41
Dipole, Da:	3.03
IP(EA), eV:	-8.94(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(aminomethyl)-3-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN=C2C(=C(NN2C1C(F)F)C3=CN=CC=C3)Br

DOS

IR

Vibrations