Geometry & MOs

Info

ID:	429928
PubChem CID:	135169983
Reduced:	F3N7C26H28 (1)
Stoich.:	A3B7C26D28 (1)
Weight, g/mol:	284.01604
ΔH_f, kcal/mol:	7.99
Dipole, Da:	5.86
IP(EA), eV:	-8.28(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-bromo-7-methyl-1,2-dihydropyrazolo[1,5-a]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC=C(C2=CC=CC=C21)N=C(/C(=C\N)/C(=C)N/C(=C/C)/C=C(\CN3N=CC=N3)/F)C(C)(F)F

DOS

IR

Vibrations