Geometry & MOs

Info

ID:	147257
PubChem CID:	53786911
Reduced:	N3O3C23H41 (1)
Stoich.:	A3B3C23D41 (1)
Weight, g/mol:	564.214803
ΔH_f, kcal/mol:	-139.48
Dipole, Da:	3.67
IP(EA), eV:	-9.9(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2-[4-methoxy-3-(5-phenylpentan-2-yloxy)phenyl]-7-phenacyloxychromen-4-one

Drug info:

PubChemData

Smile

CCCCCCCC[C@H]1CCC(=O)[C@@H]1CCCCCC(C(=O)OC(C)C)[N-][N+]#N

DOS

IR

Vibrations