Geometry & MOs

Info

ID:	358366
PubChem CID:	127295911
Reduced:	ON2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-47.12
Dipole, Da:	9.15
IP(EA), eV:	-9.68(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-piperidin-1-ylpyrrolidin-1-yl)-3-(triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)CCN2C=CN=N2

DOS

IR

Vibrations