Geometry & MOs

Info

ID:	441897
PubChem CID:	135246548
Reduced:	F3N3H18C20 (1)
Stoich.:	A3B3C18D20 (1)
Weight, g/mol:	210.97451
ΔH_f, kcal/mol:	-85.39
Dipole, Da:	5.76
IP(EA), eV:	-9.66(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-5-methylpyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=N1)C)C2=C(N=CC=C2)CC3=CN=C(C=C3)C(F)(F)F

DOS

IR

Vibrations