Geometry & MOs

Info

ID:	216938
PubChem CID:	85087013
Reduced:	IOSC11H11 (1)
Stoich.:	ABCD11E11 (1)
Weight, g/mol:	318.120781
ΔH_f, kcal/mol:	-5.35
Dipole, Da:	1.39
IP(EA), eV:	-8.86(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-diethoxyphosphoryl-2-(2,2,2-trifluoroethoxy)cyclohexane

Drug info:

PubChemData

Smile

C1C(CSC1=C(C2=CC=CC=C2)I)O

DOS

IR

Vibrations