Geometry & MOs

Info

ID:	327596
PubChem CID:	126690459
Reduced:	F2N2O3H18C21 (2)
Stoich.:	A2B2C3D18E21 (2)
Weight, g/mol:	141.058992
ΔH_f, kcal/mol:	-292.74
Dipole, Da:	3.38
IP(EA), eV:	-9.14(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-6-fluoro-2-hydroxyhepta-4,6-dienenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NO3)C4=CC=C(C=C4)CN(CC(O)OC)C(=O)C5=C(C=C(C=C5)NC(=O)CC6=C(C=C(C=C6)OC)C(F)(F)F)F

DOS

IR

Vibrations