Geometry & MOs

Info

ID:	178899
PubChem CID:	76399112
Reduced:	F2O3N4H14C16 (1)
Stoich.:	A2B3C4D14E16 (1)
Weight, g/mol:	380.257612
ΔH_f, kcal/mol:	-131.72
Dipole, Da:	4.31
IP(EA), eV:	-9.42(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-4-(5-methylpyridin-2-yl)piperidin-4-ol

Drug info:

PubChemData

Smile

C1C(NNC1=O)C(=O)NCC2=C(N=CC=C2)OC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations