Geometry & MOs

Info

ID:	254901
PubChem CID:	103128590
Reduced:	BrO2N3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	346.03169
ΔH_f, kcal/mol:	13.24
Dipole, Da:	4.58
IP(EA), eV:	-9.0(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2-methoxyphenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations