Geometry & MOs

Info

ID:	362572
PubChem CID:	127308304
Reduced:	ON3C9H16 (2)
Stoich.:	AB3C9D16 (2)
Weight, g/mol:	333.252861
ΔH_f, kcal/mol:	-44.54
Dipole, Da:	3.8
IP(EA), eV:	-8.82(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpyrazol-1-yl)-N-[(1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCC(C1)CNC(=O)N2CCN(CC2)C(C)C3=NC(=NO3)C

DOS

IR

Vibrations