Geometry & MOs

Info

ID:	292006
PubChem CID:	114007442
Reduced:	FN2O4C11H13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	257.112404
ΔH_f, kcal/mol:	-192.66
Dipole, Da:	1.95
IP(EA), eV:	-9.53(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1F)C(=O)NC[C@@H](C(=O)O)O

DOS

IR

Vibrations