Geometry & MOs

Info

ID:	389409
PubChem CID:	134992791
Reduced:	NOC10H21 (1)
Stoich.:	ABC10D21 (1)
Weight, g/mol:	246.183109
ΔH_f, kcal/mol:	-91.07
Dipole, Da:	3.14
IP(EA), eV:	-9.05(2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,5R)-3,5-dihydroxy-2-methylheptyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C[C@@]1(CCC[C@H]1NC(C)(C)C)O

DOS

IR

Vibrations