Geometry & MOs

Info

ID:	31093
PubChem CID:	854472
Reduced:	ClN2O3H13C17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	348.136159
ΔH_f, kcal/mol:	-85.73
Dipole, Da:	2.83
IP(EA), eV:	-9.08(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-7-[(1S)-2-oxocyclohexyl]oxy-4-phenylchromen-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C(=C(N2)O)CC(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations