Geometry & MOs

Info

ID:	253811
PubChem CID:	103120805
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	21.89
Dipole, Da:	4.1
IP(EA), eV:	-9.22(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(methylamino)ethyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCCN(C1CN)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations