Geometry & MOs

Info

ID:	200715
PubChem CID:	79431164
Reduced:	BrOF3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	344.05243
ΔH_f, kcal/mol:	-169.92
Dipole, Da:	1.46
IP(EA), eV:	-9.65(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-3-(1-methylindazol-3-yl)propan-1-ol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)CC(CO)C2=CC(=CC=C2)Br

DOS

IR

Vibrations