Geometry & MOs

Info

ID:	124582
PubChem CID:	50888179
Reduced:	N2O5H16C17 (2)
Stoich.:	A2B5C16D17 (2)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-278.8
Dipole, Da:	2.37
IP(EA), eV:	-8.77(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)COC1=C(C=C(C=C1)C(C2=C(NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)C4=C(NN(C4=O)C5=CC=CC(=C5)C(=O)O)C)OC

DOS

IR

Vibrations