Geometry & MOs

Info

ID:	327065
PubChem CID:	126688951
Reduced:	ClN2O14C30H37 (1)
Stoich.:	AB2C14D30E37 (1)
Weight, g/mol:	282.01168
ΔH_f, kcal/mol:	-596.93
Dipole, Da:	10.45
IP(EA), eV:	-9.2(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-cyclohexyl-1-iodoethyl) formate

Drug info:

PubChemData

Smile

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.C([C@@H](C(=O)O)N)O.Cl

DOS

IR

Vibrations