Geometry & MOs

Info

ID:	46686
PubChem CID:	10526260
Reduced:	NCl3O7C14H22 (1)
Stoich.:	AB3C7D14E22 (1)
Weight, g/mol:	323.16472
ΔH_f, kcal/mol:	-343.97
Dipole, Da:	4.02
IP(EA), eV:	-10.44(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(6-tert-butyl-4-ethoxychromenylium-2-yl)phenol

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations