Geometry & MOs

Info

ID:	213273
PubChem CID:	81063302
Reduced:	ClNO4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	254.13789
ΔH_f, kcal/mol:	-168.77
Dipole, Da:	3.5
IP(EA), eV:	-9.22(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1CC2=C(O1)C=CC(=C2)Cl

DOS

IR

Vibrations