Geometry & MOs

Info

ID:	69735
PubChem CID:	47205294
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	280.153541
ΔH_f, kcal/mol:	-32.64
Dipole, Da:	3.83
IP(EA), eV:	-9.24(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(1H-pyrazol-5-ylmethylcarbamoyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCC(=O)NCC2=CC=NN2)O

DOS

IR

Vibrations