Geometry & MOs

Info

ID:	406524
PubChem CID:	135077957
Reduced:	N2O2C12H21 (1)
Stoich.:	A2B2C12D21 (1)
Weight, g/mol:	236.068473
ΔH_f, kcal/mol:	-57.18
Dipole, Da:	6.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768830
Charge, e:	0

Chem-info

IUPAC name:

[(2Z)-2-(1,4-benzodioxin-3-ylidene)ethyl] methyl carbonate

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]([C@H](C1)O/C(=C\[N+]#N)/O)C(C)C

DOS

IR

Vibrations