Geometry & MOs

Info

ID:	405489
PubChem CID:	135074164
Reduced:	NF3O4C16H18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	197.141579
ΔH_f, kcal/mol:	-303.1
Dipole, Da:	4.78
IP(EA), eV:	-9.33(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(E)-7-hydroxyhept-5-enyl]but-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CCNC(=O)C(F)(F)F)/C=C/COC(=O)OC

DOS

IR

Vibrations