Geometry & MOs

Info

ID:	307998
PubChem CID:	125311186
Reduced:	N3O5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	387.179421
ΔH_f, kcal/mol:	-142.17
Dipole, Da:	4.58
IP(EA), eV:	-8.85(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[5-(2,4-dimethoxyphenyl)-4H-pyrazole-3-carbonyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)C(=O)C2=NN=C(C2)C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations