Geometry & MOs

Info

ID:	325107
PubChem CID:	126680820
Reduced:	F3O3N8C29H35 (1)
Stoich.:	A3B3C8D29E35 (1)
Weight, g/mol:	310.097187
ΔH_f, kcal/mol:	-104.35
Dipole, Da:	3.5
IP(EA), eV:	-8.68(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-(2,2-dimethylpropyl)-7-(methoxymethoxy)chromen-2-one

Drug info:

PubChemData

Smile

C[C@@H](C(F)(F)F)NC(=O)C1=CC(=NC(=N1)OCC2(CC2)C#C)N3CCC(CC3)C4=C5C=C(C=NC5=NN4)OCCN(C)C

DOS

IR

Vibrations