Geometry & MOs

Info

ID:	426598
PubChem CID:	135151603
Reduced:	O4N6C19H22 (1)
Stoich.:	A4B6C19D22 (1)
Weight, g/mol:	169.050571
ΔH_f, kcal/mol:	-85.83
Dipole, Da:	4.97
IP(EA), eV:	-8.71(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-hydroxy-3-methylbutanoic acid;hydrochloride

Drug info:

PubChemData

Smile

CC1=NC2=C(N1CC(=O)N3CCN(C[C@H]3C4=NC=CN4)C(=O)O)C=C(C=C2)OC

DOS

IR

Vibrations