Geometry & MOs

Info

ID:	279749
PubChem CID:	103845001
Reduced:	Cl2N2O2C17H24 (1)
Stoich.:	A2B2C2D17E24 (1)
Weight, g/mol:	308.221226
ΔH_f, kcal/mol:	-120.88
Dipole, Da:	1.52
IP(EA), eV:	-9.28(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(2-ethylpyrazol-3-yl)methylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NCC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations