Geometry & MOs

Info

ID:	214064
PubChem CID:	81066857
Reduced:	FN2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	250.142976
ΔH_f, kcal/mol:	-133.57
Dipole, Da:	7.85
IP(EA), eV:	-9.24(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-cyano-2,5-dimethylpyrazol-3-yl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=CC(=CC(=C1)F)[N+](=O)[O-]

DOS

IR

Vibrations