Geometry & MOs

Info

ID:	260543
PubChem CID:	103194729
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	293.221561
ΔH_f, kcal/mol:	-9.6
Dipole, Da:	3.98
IP(EA), eV:	-8.4(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-N-methylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN(C1)CC2=NC3=C(N2)C=C(C=C3)N

DOS

IR

Vibrations