Geometry & MOs

Info

ID:	48364
PubChem CID:	10539691
Reduced:	O4C15H22 (1)
Stoich.:	A4B15C22 (1)
Weight, g/mol:	272.98007
ΔH_f, kcal/mol:	-177.12
Dipole, Da:	3.24
IP(EA), eV:	-9.7(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-bromo-4-fluoro-2-(methoxymethoxy)phenyl]acetonitrile

Drug info:

PubChemData

Smile

CC([C@H]1[C@@H](OC(O1)(C)C)COCC2=CC=CC=C2)O

DOS

IR

Vibrations