Geometry & MOs

Info

ID:	1068
PubChem CID:	3747
Reduced:	O3H16C18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	280.109944
ΔH_f, kcal/mol:	-67.06
Dipole, Da:	4.46
IP(EA), eV:	-9.02(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-7-propan-2-yloxychromen-4-one

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3

DOS

IR

Vibrations