Geometry & MOs

Info

ID:	310508
PubChem CID:	126581231
Reduced:	NO2C38H75 (1)
Stoich.:	AB2C38D75 (1)
Weight, g/mol:	229.167794
ΔH_f, kcal/mol:	-247.77
Dipole, Da:	5.68
IP(EA), eV:	-9.45(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(tert-butylamino)-6-methyl-5-oxoheptanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)N[C@@H]([C@H](/C=C/CCCCCCCCCCCCC)O)C(C)C

DOS

IR

Vibrations