Geometry & MOs

Info

ID:	437523
PubChem CID:	135226510
Reduced:	NOC12H25 (1)
Stoich.:	ABC12D25 (1)
Weight, g/mol:	325.075036
ΔH_f, kcal/mol:	-89.3
Dipole, Da:	2.83
IP(EA), eV:	-9.27(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[3-(1,3-dioxoisoindol-2-yl)-2-fluorophenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCC[C@H](C(=O)C(C)C)N

DOS

IR

Vibrations