Geometry & MOs

Info

ID:	434467
PubChem CID:	135175010
Reduced:	FNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	385.142641
ΔH_f, kcal/mol:	-102.99
Dipole, Da:	5.27
IP(EA), eV:	-8.3(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[6-(3-methoxyprop-1-ynyl)-3-oxo-1H-isoindol-2-yl]methyl]-2-methyl-3-oxo-1H-isoindole-4-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)O[C@@H]2CCNC[C@@H]2F

DOS

IR

Vibrations