Geometry & MOs

Info

ID:	224940
PubChem CID:	85734687
Reduced:	NO6C28H32 (2)
Stoich.:	AB6C28D32 (2)
Weight, g/mol:	302.107357
ΔH_f, kcal/mol:	-202.41
Dipole, Da:	1.65
IP(EA), eV:	-8.37(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol

Drug info:

Smile

CC1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])CC5=C(C(=CC(=C5)C(C)(C)C)CC6=C(C1=CC(=C6)C(C)(C)C)OC(=O)CCC(=O)O)O)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations