Geometry & MOs

Info

ID:	426419
PubChem CID:	135144048
Reduced:	OSF3N4C23H27 (1)
Stoich.:	ABC3D4E23F27 (1)
Weight, g/mol:	453.215138
ΔH_f, kcal/mol:	-160.74
Dipole, Da:	5.07
IP(EA), eV:	-8.22(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-dimethyl-4-(3-morpholin-4-ylpropoxy)phenyl]-5,7-dimethoxychromen-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCCN2SC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations