Geometry & MOs

Info

ID:	205441
PubChem CID:	80102498
Reduced:	FO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	308.073471
ΔH_f, kcal/mol:	-142.16
Dipole, Da:	1.77
IP(EA), eV:	-9.0(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-benzyl-3-chloro-2-(chloromethyl)propyl]phenol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C(CC2=CC=C(C=C2)O)(CO)CO

DOS

IR

Vibrations