Geometry & MOs

Info

ID:	170487
PubChem CID:	75240759
Reduced:	FO5N6C37H39 (1)
Stoich.:	AB5C6D37E39 (1)
Weight, g/mol:	342.219495
ΔH_f, kcal/mol:	-97.68
Dipole, Da:	10.91
IP(EA), eV:	-8.53(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-prop-1-ynyl-6-oxabicyclo[3.1.0]hexan-3-yl)propyl undec-6-en-9-ynoate

Drug info:

PubChemData

Smile

CN(CCN1C2=CC=CC=C2C(=NNC3=CC=CC=C3)C1=O)C4CCCN(C4)C5=C(C=C6C(=C5OC)N(C=C(C6=O)CC(=O)O)C7CC7)F

DOS

IR

Vibrations