Geometry & MOs

Info

ID:	31011
PubChem CID:	854093
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	340.086622
ΔH_f, kcal/mol:	-48.67
Dipole, Da:	1.47
IP(EA), eV:	-8.71(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-7-(3-methylbut-2-enoxy)-4-phenylchromen-2-one

Drug info:

PubChemData

Smile

CN(C)CCN1C2=CC=CC=C2C=C1C(=O)O

DOS

IR

Vibrations