Geometry & MOs

Info

ID:	445419
PubChem CID:	135266934
Reduced:	FON2C13H13 (2)
Stoich.:	ABC2D13E13 (2)
Weight, g/mol:	149.084064
ΔH_f, kcal/mol:	-70.92
Dipole, Da:	6.1
IP(EA), eV:	-8.35(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2,3-dihydro-1H-isoindol-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N)N1C)C2=C(N=C(C=C2)C#CC(C)(C)O)C(CC3=CC(=CC(=C3)F)F)NC=O

DOS

IR

Vibrations