Geometry & MOs

Info

ID:	315351
PubChem CID:	126625681
Reduced:	IO3C16H29 (1)
Stoich.:	AB3C16D29 (1)
Weight, g/mol:	382.10049
ΔH_f, kcal/mol:	-175.49
Dipole, Da:	2.24
IP(EA), eV:	-9.82(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(3-iodopropoxymethyl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCC(C)(C)OC(=O)C1CCC(CC1)COCCCI

DOS

IR

Vibrations