Geometry & MOs

Info

ID:	264786
PubChem CID:	103490048
Reduced:	INO4C14H26 (1)
Stoich.:	ABC4D14E26 (1)
Weight, g/mol:	354.10558
ΔH_f, kcal/mol:	-199.89
Dipole, Da:	1.86
IP(EA), eV:	-9.61(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethoxypropan-2-yloxy)-4-ethyl-1-(iodomethyl)cyclohexane

Drug info:

PubChemData

Smile

CCOCC(C)OC1CN(CC1I)C(=O)OC(C)(C)C

DOS

IR

Vibrations