Geometry & MOs

Info

ID:	394608
PubChem CID:	135023282
Reduced:	NO9C33H39 (1)
Stoich.:	AB9C33D39 (1)
Weight, g/mol:	298.081679
ΔH_f, kcal/mol:	-209.78
Dipole, Da:	9.24
IP(EA), eV:	-9.59(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-6,6,6-trifluorohex-3-enoxy]chromen-2-one

Drug info:

PubChemData

Smile

CC[C@@H]\1CCC(=O)C2=C(C(=CC3=C2C(=O)C=C(C3=O)NC(=O)C/C=C(/C(=O)O[C@H]([C@H](/C=C1)OCOC)C=C(C)C)\C)C)O

DOS

IR

Vibrations