Geometry & MOs

Info

ID:	32696
PubChem CID:	7847183
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	-65.67
Dipole, Da:	4.32
IP(EA), eV:	-9.0(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations