Geometry & MOs

Info

ID:	1170
PubChem CID:	3905
Reduced:	N3O3C11H19 (1)
Stoich.:	A3B3C11D19 (1)
Weight, g/mol:	241.142641
ΔH_f, kcal/mol:	-127.86
Dipole, Da:	1.82
IP(EA), eV:	-9.8(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-hydroxy-2-(1H-imidazol-5-ylmethyl)-5-methylhexanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(CC1=CN=CN1)(C(=O)O)O)N

DOS

IR

Vibrations