Geometry & MOs

Info

ID:	79646
PubChem CID:	49829831
Reduced:	NO3C26H39 (1)
Stoich.:	AB3C26D39 (1)
Weight, g/mol:	419.220892
ΔH_f, kcal/mol:	-171.75
Dipole, Da:	3.93
IP(EA), eV:	-9.02(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(1-phenylbutylamino)ethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate

Drug info:

PubChemData

Smile

C[C@]12CCC3C(C1CCC2=O)CC=C4[C@]3(CCC(C4)OC(=O)CCN5CCCC5)C

DOS

IR

Vibrations