Geometry & MOs

Info

ID:	213332
PubChem CID:	81063478
Reduced:	N3O5C10H15 (1)
Stoich.:	A3B5C10D15 (1)
Weight, g/mol:	240.12224
ΔH_f, kcal/mol:	-222.28
Dipole, Da:	3.53
IP(EA), eV:	-10.06(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CN1C(=O)CNC1=O

DOS

IR

Vibrations