Geometry & MOs

Info

ID:	31799
PubChem CID:	3718411
Reduced:	NO5H15C22 (1)
Stoich.:	AB5C15D22 (1)
Weight, g/mol:	344.198759
ΔH_f, kcal/mol:	-80.87
Dipole, Da:	5.44
IP(EA), eV:	-9.28(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hexyl-4,8-dimethyl-7-(3-oxobutan-2-yloxy)chromen-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CN=CC=C4)O3

DOS

IR

Vibrations