Geometry & MOs

Info

ID:	213131
PubChem CID:	81062964
Reduced:	N2O4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	270.09642
ΔH_f, kcal/mol:	-186.03
Dipole, Da:	2.36
IP(EA), eV:	-9.44(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1CCCN(C1)C(=O)C2CC2

DOS

IR

Vibrations