Geometry & MOs

Info

ID:	293352
PubChem CID:	117385247
Reduced:	NF2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	253.091435
ΔH_f, kcal/mol:	-153.07
Dipole, Da:	6.51
IP(EA), eV:	-9.05(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-difluoro-1-(1-isocyanatocyclopentyl)-4-methoxybenzene

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=C(C=C2C=CNC2=C1F)F

DOS

IR

Vibrations