Geometry & MOs

Info

ID:	45554
PubChem CID:	10514830
Reduced:	FON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	250.169855
ΔH_f, kcal/mol:	-60.39
Dipole, Da:	6.9
IP(EA), eV:	-9.62(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-propan-2-yloxy-3,5-bis(tritritiomethoxy)phenyl]ethanone

Drug info:

PubChemData

Smile

CCC(C#N)C1=NC=C(C(=C1C)OC(C)(C)C)F

DOS

IR

Vibrations