Geometry & MOs

Info

ID:	372389
PubChem CID:	131296843
Reduced:	O2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	272.98007
ΔH_f, kcal/mol:	9.81
Dipole, Da:	4.38
IP(EA), eV:	-8.76(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

CC1=C(C(=O)C(=C2NOC(=N2)CN)C=C1)C

DOS

IR

Vibrations