Geometry & MOs

Info

ID:	168492
PubChem CID:	74976059
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	192.078644
ΔH_f, kcal/mol:	-95.68
Dipole, Da:	4.96
IP(EA), eV:	-8.84(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylbut-3-en-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol

Drug info:

PubChemData

Smile

C1CCC(C1)N2C3=CC=CC=C3N(C2=O)C(C4=CC=CC=C4)C(CO)O

DOS

IR

Vibrations