Geometry & MOs

Info

ID:	213811
PubChem CID:	81065061
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	284.11207
ΔH_f, kcal/mol:	-184.42
Dipole, Da:	3.06
IP(EA), eV:	-8.5(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[3-(4-nitroimidazol-1-yl)propanoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCCC(=O)NCC(C)CC(=O)O)C

DOS

IR

Vibrations