Geometry & MOs

Info

ID:	167387
PubChem CID:	74818986
Reduced:	N2F4O5H22C26 (1)
Stoich.:	A2B4C5D22E26 (1)
Weight, g/mol:	417.157623
ΔH_f, kcal/mol:	-228.09
Dipole, Da:	5.13
IP(EA), eV:	-8.54(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxyphenyl)-7-[(2-phenyl-1,3-oxazol-4-yl)methoxy]-4a,5,6,7,8,8a-hexahydrochromen-4-one

Drug info:

PubChemData

Smile

C1CC2C(CC1OCC3=NOC(=N3)C4=CC(=CC(=C4)F)C(F)(F)F)OC=C(C2=O)C5=CC=C(C=C5)CO

DOS

IR

Vibrations