Geometry & MOs

Info

ID:	319289
PubChem CID:	126655541
Reduced:	O2N3C10H17 (1)
Stoich.:	A2B3C10D17 (1)
Weight, g/mol:	239.142248
ΔH_f, kcal/mol:	-42.78
Dipole, Da:	5.5
IP(EA), eV:	-9.14(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzylpyrazol-3-yl)-3,6-dihydro-2H-pyridine

Drug info:

PubChemData

Smile

CO[C@@H]1CCN(C[C@@H]1OC)C2=CC=NN2

DOS

IR

Vibrations