Geometry & MOs

Info

ID:	270125
PubChem CID:	103629386
Reduced:	NO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	322.236876
ΔH_f, kcal/mol:	-155.85
Dipole, Da:	4.07
IP(EA), eV:	-9.7(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CC(CN1C(=O)NCC2=CC=CC=C2)O

DOS

IR

Vibrations