Geometry & MOs

Info

ID:	397054
PubChem CID:	135029655
Reduced:	O3C17H22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	368.141245
ΔH_f, kcal/mol:	-131.0
Dipole, Da:	1.67
IP(EA), eV:	-9.3(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3,3-dimethyl-2-phenyl-6-(2-phenylethynyl)chromen-4-one

Drug info:

PubChemData

Smile

CC1(C(=O)C2=CC=CC=C2OC1(C3CCCCC3)O)C

DOS

IR

Vibrations