Geometry & MOs

Info

ID:	378714
PubChem CID:	134224809
Reduced:	FNO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	281.142722
ΔH_f, kcal/mol:	-187.88
Dipole, Da:	4.73
IP(EA), eV:	-9.77(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(1S)-8-fluoro-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@H]1C2=C(CCO1)C=CC=C2F

DOS

IR

Vibrations