Geometry & MOs

Info

ID:	179282
PubChem CID:	76461183
Reduced:	NSO4C31H31 (1)
Stoich.:	ABC4D31E31 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-91.77
Dipole, Da:	8.98
IP(EA), eV:	-8.98(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-azidopent-4-ynyl)-2-(2-methylidenebutyl)-7-oxabicyclo[4.1.0]heptan-2-ol

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)CC(CC2=CC=CC=C2)C(=O)O)CNC(=O)C3=CC=C(C=C3)C4=CC=CS4

DOS

IR

Vibrations