Geometry & MOs

Info

ID:	253801
PubChem CID:	103120719
Reduced:	ON4C13H14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	27.04
Dipole, Da:	4.98
IP(EA), eV:	-7.89(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-3-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2=CC3=C(C=C2)NCC3

DOS

IR

Vibrations