Geometry & MOs

Info

ID:	179233
PubChem CID:	76454054
Reduced:	N2F3O11H37C41 (1)
Stoich.:	A2B3C11D37E41 (1)
Weight, g/mol:	290.13068
ΔH_f, kcal/mol:	-534.74
Dipole, Da:	6.21
IP(EA), eV:	-9.27(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-hydroxy-1H-inden-1-yl)ethyl]-1H-inden-4-ol

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(COC(=O)NC6=CC=CC=C6)O)NC(=O)C(F)(F)F)(CC7=CC=CC=C7)O

DOS

IR

Vibrations