Geometry & MOs

Info

ID:	51075
PubChem CID:	12013695
Reduced:	NO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-160.26
Dipole, Da:	8.15
IP(EA), eV:	-9.25(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-carbamoyl-2-methyl-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

C[C@@](CC1=CC=C(C=C1)OC)(C(=O)N)C(=O)O

DOS

IR

Vibrations