Geometry & MOs

Info

ID:	292742
PubChem CID:	117357571
Reduced:	F2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	-196.08
Dipole, Da:	5.31
IP(EA), eV:	-9.61(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-isocyanatocyclobutyl)-2-methyl-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)CCC(F)F)C(=O)O

DOS

IR

Vibrations