Geometry & MOs

Info

ID:	213285
PubChem CID:	81063334
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	267.158292
ΔH_f, kcal/mol:	-123.01
Dipole, Da:	3.49
IP(EA), eV:	-9.96(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,5-diethylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCC1=CN=CC=C1

DOS

IR

Vibrations