Geometry & MOs

Info

ID:	178968
PubChem CID:	76411505
Reduced:	ClIN3O3C15H17 (1)
Stoich.:	ABC3D3E15F17 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	-74.12
Dipole, Da:	3.24
IP(EA), eV:	-8.69(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-(hydroxymethyl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.1]octan-6-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC2=C(N(C=N2)C3C(C(C(O3)CI)O)O)N)Cl

DOS

IR

Vibrations