Geometry & MOs

Info

ID:	188631
PubChem CID:	77745253
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	288.14337
ΔH_f, kcal/mol:	65.88
Dipole, Da:	4.4
IP(EA), eV:	-8.58(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-methylbutanoic acid;2-(2-methyl-5-nitroimidazol-1-yl)ethanol

Drug info:

PubChemData

Smile

C1CC1C2=NC(=O)C3C=C(N=CC3=N2)N4CCN5CCC4CC5

DOS

IR

Vibrations