Geometry & MOs

Info

ID:	35677
PubChem CID:	7980185
Reduced:	O6H16C19 (1)
Stoich.:	A6B16C19 (1)
Weight, g/mol:	343.153206
ΔH_f, kcal/mol:	-188.11
Dipole, Da:	1.62
IP(EA), eV:	-9.22(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)COC3=CC=CC=C3)O

DOS

IR

Vibrations