Geometry & MOs

Info

ID:	127340
PubChem CID:	50998975
Reduced:	ClNO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	145.146664
ΔH_f, kcal/mol:	-123.84
Dipole, Da:	3.35
IP(EA), eV:	-9.03(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5R)-5-amino-6-methylheptan-3-ol

Drug info:

PubChemData

Smile

C[C@H](COC1=C(C=C(C=C1)Cl)CN)C(=O)O

DOS

IR

Vibrations