Geometry & MOs

Info

ID:	425490
PubChem CID:	135126525
Reduced:	OSF3N7H22C26 (1)
Stoich.:	ABC3D7E22F26 (1)
Weight, g/mol:	370.141638
ΔH_f, kcal/mol:	13.71
Dipole, Da:	3.56
IP(EA), eV:	-8.89(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one

Drug info:

PubChemData

Smile

CC#CCOC1=NC=C(N=C1)/C(=C/C2=CC(=C(C=C2)F)[C@]34CN(C[C@H]3CSC(=N4)N)C5=NC=C(C=N5)F)/F

DOS

IR

Vibrations