Geometry & MOs

Info

ID:	372304
PubChem CID:	131296035
Reduced:	ClNF2H2O2C8 (1)
Stoich.:	ABC2D2E2F8 (1)
Weight, g/mol:	269.95033
ΔH_f, kcal/mol:	-104.8
Dipole, Da:	4.04
IP(EA), eV:	-10.15(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(hydroxymethyl)-3-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=C1Cl)O)F)F)C(=O)C#N

DOS

IR

Vibrations