Geometry & MOs

Info

ID:	411334
PubChem CID:	135084157
Reduced:	N2O2C12H13 (1)
Stoich.:	A2B2C12D13 (1)
Weight, g/mol:	221.085207
ΔH_f, kcal/mol:	11.63
Dipole, Da:	5.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.922002
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-(4-fluorophenyl)but-3-enylideneamino] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C(=C(\O)/OC)/[N+]#N

DOS

IR

Vibrations