Geometry & MOs

Info

ID:	391472
PubChem CID:	135005540
Reduced:	O5C21H30 (1)
Stoich.:	A5B21C30 (1)
Weight, g/mol:	346.04298
ΔH_f, kcal/mol:	-226.17
Dipole, Da:	10.05
IP(EA), eV:	-9.73(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-iodo-2,2-dimethyl-4-phenylbutanoate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@]2([C@H]1CC(=O)[C@@]3(C2CC=C([C@@H]3CC(=O)O)C)C=O)C)OC

DOS

IR

Vibrations