Geometry & MOs

Info

ID:	197165
PubChem CID:	78931073
Reduced:	O4C13H18 (1)
Stoich.:	A4B13C18 (1)
Weight, g/mol:	324.01612
ΔH_f, kcal/mol:	-167.62
Dipole, Da:	3.57
IP(EA), eV:	-9.07(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol

Drug info:

PubChemData

Smile

CCOC(=O)C(C)OC1=CC=CC=C1[C@H](C)O

DOS

IR

Vibrations