Geometry & MOs

Info

ID:	282425
PubChem CID:	103926376
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	293.199094
ΔH_f, kcal/mol:	-163.29
Dipole, Da:	5.05
IP(EA), eV:	-9.82(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(adamantane-1-carbonylamino)-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)O)NC(=O)C1=C(C=NC=C1)O

DOS

IR

Vibrations