Geometry & MOs

Info

ID:	295524
PubChem CID:	117532298
Reduced:	SN4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	173.141579
ΔH_f, kcal/mol:	50.5
Dipole, Da:	3.77
IP(EA), eV:	-8.74(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4,4-dimethylheptanoic acid

Drug info:

PubChemData

Smile

CC1=NC(=C2N1CCN(C2)C3=CC=CS3)CCN

DOS

IR

Vibrations