Geometry & MOs

Info

ID:	44451
PubChem CID:	10503624
Reduced:	F3O3N4C22H23 (1)
Stoich.:	A3B3C4D22E23 (1)
Weight, g/mol:	448.152203
ΔH_f, kcal/mol:	-189.48
Dipole, Da:	9.11
IP(EA), eV:	-9.55(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethoxy-5-hydroxy-3-methoxy-2-(4-methoxy-3-phenylmethoxyphenyl)chromen-4-one

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NC(=O)NN3)C4=CC=CC=C4

DOS

IR

Vibrations