Geometry & MOs

Info

ID:	374786
PubChem CID:	131343614
Reduced:	FNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	274.97573
ΔH_f, kcal/mol:	-115.99
Dipole, Da:	2.55
IP(EA), eV:	-9.33(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromo-2,5-difluoro-6-hydroxyphenyl)butanenitrile

Drug info:

PubChemData

Smile

C1COC2=C(CC1(CN)O)C(=CC=C2)F

DOS

IR

Vibrations