Geometry & MOs

Info

ID:	398921
PubChem CID:	135036289
Reduced:	N2O2C6H9 (1)
Stoich.:	A2B2C6D9 (1)
Weight, g/mol:	398.22458
ΔH_f, kcal/mol:	-7.45
Dipole, Da:	1.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.883162
Charge, e:	0

Chem-info

IUPAC name:

(2S,6S)-2,6-bis(3,4-dimethylphenyl)-2,6-dimethyl-3,7-dihydrofuro[2,3-f][1]benzofuran

Drug info:

PubChemData

Smile

CC(=C)CO/C(=C\[N+]#N)/O

DOS

IR

Vibrations