Geometry & MOs

Info

ID:	141913
PubChem CID:	52951292
Reduced:	O4C7H12 (1)
Stoich.:	A4B7C12 (1)
Weight, g/mol:	213.172879
ΔH_f, kcal/mol:	-180.12
Dipole, Da:	4.01
IP(EA), eV:	-10.29(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]butanamide

Drug info:

PubChemData

Smile

CO[C@H]1CC(=O)[C@H](C[C@H]1O)O

DOS

IR

Vibrations