Geometry & MOs

Info

ID:	380535
PubChem CID:	134971016
Reduced:	BrFeOH15C19 (1)
Stoich.:	ABCD15E19 (1)
Weight, g/mol:	220.005785
ΔH_f, kcal/mol:	223.49
Dipole, Da:	1.64
IP(EA), eV:	-8.15(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-5-(2-hydroxypropyl)phenol

Drug info:

PubChemData

Smile

C1=C[CH]C=C1.C1=CC(=C[CH]1)C(=O)/C=C/C2=CC=C(C=C2)Br.[Fe]

DOS

IR

Vibrations