Geometry & MOs

Info

ID:	322716
PubChem CID:	126670874
Reduced:	ClNO3C13H22 (1)
Stoich.:	ABC3D13E22 (1)
Weight, g/mol:	247.178358
ΔH_f, kcal/mol:	-177.59
Dipole, Da:	3.91
IP(EA), eV:	-9.48(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-hydroxy-6-methoxy-3,5,5-trimethyl-3-(methylamino)hexanoate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](N([C@@H]1C)C(=O)OC(C)(C)C)C(=O)CCl

DOS

IR

Vibrations