Geometry & MOs

Info

ID:	253260
PubChem CID:	103117212
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	227.090606
ΔH_f, kcal/mol:	-55.01
Dipole, Da:	8.32
IP(EA), eV:	-9.88(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-hydroxy-2-[(1-methylpyrazole-3-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC1(CCCCN1C(=O)C2=C3C=NC=CN3N=C2)C(=O)O

DOS

IR

Vibrations