Geometry & MOs

Info

ID:	253038
PubChem CID:	103115653
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	24.71
Dipole, Da:	2.55
IP(EA), eV:	-9.09(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-3-yl)-[4-(propylamino)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCNC1CCN(CC1)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations