Geometry & MOs

Info

ID:	73568
PubChem CID:	48418177
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-51.31
Dipole, Da:	4.5
IP(EA), eV:	-8.69(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[3-(3-methylpyrazol-1-yl)benzoyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)C1=CC2=CC=CC=C2C(=N1)OC)C3=CC(=CC=C3)OC

DOS

IR

Vibrations