Geometry & MOs

Info

ID:	254596
PubChem CID:	103126383
Reduced:	BrON4C15H15 (1)
Stoich.:	ABC4D15E15 (1)
Weight, g/mol:	213.126598
ΔH_f, kcal/mol:	60.38
Dipole, Da:	3.68
IP(EA), eV:	-8.84(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylpent-3-yn-1-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)CC(C2=C3C=NC=CN3N=C2)N

DOS

IR

Vibrations