Geometry & MOs

Info

ID:	187244
PubChem CID:	77549548
Reduced:	NO3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	363.02702
ΔH_f, kcal/mol:	-81.38
Dipole, Da:	4.67
IP(EA), eV:	-9.0(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromoindol-1-yl)-3-(3-fluorophenyl)propane-1,2-diol

Drug info:

PubChemData

Smile

C1CC2(C1)C3=CC=CC=C3N(C2=O)C(C4=CC=CC=C4)C(CO)O

DOS

IR

Vibrations