Geometry & MOs

Info

ID:	126953
PubChem CID:	50985230
Reduced:	ON3H19C21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	70.23
Dipole, Da:	4.74
IP(EA), eV:	-8.63(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)C2=C(N=CN2CC3=COC=C3)C4=CC=CC=C4

DOS

IR

Vibrations