Geometry & MOs

Info

ID:	221474
PubChem CID:	85273749
Reduced:	N2O5C15H22 (1)
Stoich.:	A2B5C15D22 (1)
Weight, g/mol:	310.09938
ΔH_f, kcal/mol:	-192.94
Dipole, Da:	3.96
IP(EA), eV:	-9.36(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[12-(furan-3-yl)-4,9-dimethyldodeca-3,9-dien-1,5,7,11-tetraynyl]furan

Drug info:

PubChemData

Smile

COC(=O)C1C2CCC(C2)C1C(=O)N3CCCC3C(=O)NO

DOS

IR

Vibrations