Geometry & MOs

Info

ID:	35940
PubChem CID:	7980523
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	-59.62
Dipole, Da:	7.57
IP(EA), eV:	-8.75(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=NN1C(C)C)OC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations