Geometry & MOs

Info

ID:	58618
PubChem CID:	24712307
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	349.236542
ΔH_f, kcal/mol:	31.4
Dipole, Da:	3.82
IP(EA), eV:	-9.33(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCC3=CC=CC=N3)C(C)C

DOS

IR

Vibrations