Geometry & MOs

Info

ID:	441517
PubChem CID:	135235652
Reduced:	SN2O5F6H14C20 (1)
Stoich.:	AB2C5D6E14F20 (1)
Weight, g/mol:	226.135765
ΔH_f, kcal/mol:	-398.27
Dipole, Da:	7.91
IP(EA), eV:	-9.43(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-1-methyl-4-phenylmethoxybenzene

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)F)C2=C(N=CC=C2)OC3=CN=C(C=C3)C(COS(=O)(=O)C(F)(F)F)(F)F

DOS

IR

Vibrations