Geometry & MOs

Info

ID:	406850
PubChem CID:	135078790
Reduced:	NO3C14H27 (1)
Stoich.:	AB3C14D27 (1)
Weight, g/mol:	262.100523
ΔH_f, kcal/mol:	-174.7
Dipole, Da:	1.66
IP(EA), eV:	-10.08(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-fluorobenzoyl)hept-6-ynoate

Drug info:

PubChemData

Smile

CCCCCC(NC(=O)OC(C)(C)C)OCC=C

DOS

IR

Vibrations