Geometry & MOs

Info

ID:	26830
PubChem CID:	799149
Reduced:	OSN2H12C14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	342.125594
ΔH_f, kcal/mol:	33.29
Dipole, Da:	2.18
IP(EA), eV:	-8.32(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,5-dimethylphenyl)-2-oxoethyl]benzo[f]chromen-3-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)N

DOS

IR

Vibrations