Geometry & MOs

Info

ID:	186442
PubChem CID:	77434129
Reduced:	N2O2C11H24 (1)
Stoich.:	A2B2C11D24 (1)
Weight, g/mol:	216.039814
ΔH_f, kcal/mol:	-135.79
Dipole, Da:	1.64
IP(EA), eV:	-9.46(2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-difluoro-2-hydroxyphenyl)-4-fluorobut-2-en-1-one

Drug info:

PubChemData

Smile

CC(NC(CC1CCCCC1)C(N)O)O

DOS

IR

Vibrations