Geometry & MOs

Info

ID:	406285
PubChem CID:	135077123
Reduced:	NOF5C12H12 (1)
Stoich.:	ABC5D12E12 (1)
Weight, g/mol:	165.078979
ΔH_f, kcal/mol:	-259.99
Dipole, Da:	5.04
IP(EA), eV:	-9.67(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E)-2-cyanohepta-2,6-dienoate

Drug info:

PubChemData

Smile

CCCC(C)C(=O)NC1=C(C(=C(C(=C1F)F)F)F)F

DOS

IR

Vibrations