Geometry & MOs

Info

ID:	254903
PubChem CID:	103128593
Reduced:	BrN2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	348.02735
ΔH_f, kcal/mol:	-0.03
Dipole, Da:	2.36
IP(EA), eV:	-8.76(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations