Geometry & MOs

Info

ID:	146621
PubChem CID:	53718880
Reduced:	O3C25H40 (1)
Stoich.:	A3B25C40 (1)
Weight, g/mol:	458.220557
ΔH_f, kcal/mol:	-164.16
Dipole, Da:	1.72
IP(EA), eV:	-9.8(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(diethylamino)-3-[7-(diethylamino)-2-methylidenechromene-3-carbonyl]chromen-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC[C@H]1C(=O)CO[C@@H](O1)C2=CC=CC=C2

DOS

IR

Vibrations