Geometry & MOs

Info

ID:	226883
PubChem CID:	87558781
Reduced:	BrON2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	468.144021
ΔH_f, kcal/mol:	15.79
Dipole, Da:	3.62
IP(EA), eV:	-8.84(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl)methanol;propan-1-ol;tetrafluorozirconium

Drug info:

PubChemData

Smile

C1N(C=CN1Br)C2=CC=C(C=C2)C=O

DOS

IR

Vibrations