Geometry & MOs

Info

ID:	207260
PubChem CID:	80367684
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	226.10659
ΔH_f, kcal/mol:	19.73
Dipole, Da:	4.73
IP(EA), eV:	-9.22(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCCC1=NC(=NN1)C(=O)NCC2=CC=CC=C2CN

DOS

IR

Vibrations