Geometry & MOs

Info

ID:	169111
PubChem CID:	75065703
Reduced:	O3C23H24 (1)
Stoich.:	A3B23C24 (1)
Weight, g/mol:	357.157623
ΔH_f, kcal/mol:	-41.16
Dipole, Da:	2.8
IP(EA), eV:	-9.21(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2,6-dimethylphenyl)-2-methyl-6-(5-methylfuran-2-yl)-4-oxohex-5-enyl] nitrate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)C(CC2=CC=CO2)C(=O)C=CC3=CC=CO3

DOS

IR

Vibrations