Geometry & MOs

Info

ID:	270947
PubChem CID:	103638914
Reduced:	ON4C14H14 (1)
Stoich.:	AB4C14D14 (1)
Weight, g/mol:	308.221226
ΔH_f, kcal/mol:	59.7
Dipole, Da:	2.58
IP(EA), eV:	-9.67(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(1-propan-2-ylpyrazol-4-yl)amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(CCC#N)C(=O)CN2C=CC=N2

DOS

IR

Vibrations