Geometry & MOs

Info

ID:	254304
PubChem CID:	103124129
Reduced:	BrON2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	280.121178
ΔH_f, kcal/mol:	-3.31
Dipole, Da:	3.51
IP(EA), eV:	-8.7(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxy-5-methylphenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C=CNC2=O)Br

DOS

IR

Vibrations