Geometry & MOs

Info

ID:	377083
PubChem CID:	134223121
Reduced:	NOF2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-122.4
Dipole, Da:	4.74
IP(EA), eV:	-9.63(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3S,4S)-3-propan-2-yl-3,4-dihydro-1H-isochromen-4-yl]carbamate

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2[C@@H](C(O1)C(F)F)N

DOS

IR

Vibrations