Geometry & MOs

Info

ID:	399281
PubChem CID:	135039389
Reduced:	NO2C10H17 (1)
Stoich.:	AB2C10D17 (1)
Weight, g/mol:	284.125988
ΔH_f, kcal/mol:	-65.9
Dipole, Da:	2.92
IP(EA), eV:	-9.9(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3R,4aS,8aS)-2,3-dimethoxy-2,3-dimethyl-4a,8a-dihydro-1,4-benzodioxine-5-carboxylate

Drug info:

PubChemData

Smile

CC1(C\2CCC1([C@@H](/C2=N/O)O)C)C

DOS

IR

Vibrations