Geometry & MOs

Info

ID:	191915
PubChem CID:	78200233
Reduced:	ClNF2O4H10C13 (1)
Stoich.:	ABC2D4E10F13 (1)
Weight, g/mol:	318.146724
ΔH_f, kcal/mol:	-232.22
Dipole, Da:	3.02
IP(EA), eV:	-9.93(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,8-dimethoxy-3-(2-methoxyphenyl)-4a,5,6,7,8,8a-hexahydrochromen-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1C=NC2=C(C1=O)C=C(C=C2)OC(F)(F)Cl

DOS

IR

Vibrations