Geometry & MOs

Info

ID:	254902
PubChem CID:	103128591
Reduced:	BrN2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	346.03169
ΔH_f, kcal/mol:	-2.18
Dipole, Da:	2.18
IP(EA), eV:	-8.84(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-methoxyphenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations