Geometry & MOs

Info

ID:	190368
PubChem CID:	77992827
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	260.141245
ΔH_f, kcal/mol:	-174.94
Dipole, Da:	6.34
IP(EA), eV:	-9.24(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxytetradeca-6,12-dien-8,10-diynyl acetate

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(=O)N2CC3CC(C2)CN(C3)C(=O)OC(C)(C)C

DOS

IR

Vibrations