Geometry & MOs

Info

ID:	58614
PubChem CID:	24712295
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	307.189592
ΔH_f, kcal/mol:	-42.61
Dipole, Da:	4.14
IP(EA), eV:	-9.35(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(1-methyl-5-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=C(C=NN1C2=CC=CC=C2)C(=O)NCC3CCCO3

DOS

IR

Vibrations