Geometry & MOs

Info

ID:	264842
PubChem CID:	103496925
Reduced:	NC8H13 (2)
Stoich.:	AB8C13 (2)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	-7.68
Dipole, Da:	2.85
IP(EA), eV:	-7.91(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-4-oxo-4-[2-(1,2,4-triazol-1-yl)anilino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)C1CCN(CC1)C2=CC=C(C=C2)C(C)N

DOS

IR

Vibrations