Geometry & MOs

Info

ID:	213685
PubChem CID:	81064649
Reduced:	NSO5C10H19 (1)
Stoich.:	ABC5D10E19 (1)
Weight, g/mol:	284.11207
ΔH_f, kcal/mol:	-244.72
Dipole, Da:	5.3
IP(EA), eV:	-10.1(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-(3-nitropyrazol-1-yl)acetyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CCS(=O)(=O)C

DOS

IR

Vibrations