Geometry & MOs

Info

ID:	146894
PubChem CID:	53766683
Reduced:	O3F8C12H18 (1)
Stoich.:	A3B8C12D18 (1)
Weight, g/mol:	324.204907
ΔH_f, kcal/mol:	-583.03
Dipole, Da:	2.76
IP(EA), eV:	-11.45(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-4-[(ethoxycarbonylamino)methyl]-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylate

Drug info:

PubChemData

Smile

CCCCOC(C(C(C(OC(CCC)O)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations