Geometry & MOs

Info

ID:	145981
PubChem CID:	53620931
Reduced:	FN2O4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	300.195011
ΔH_f, kcal/mol:	-216.76
Dipole, Da:	1.13
IP(EA), eV:	-9.88(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-anilinopiperidin-1-yl)-3-pyrazol-1-ylpropan-2-ol

Drug info:

PubChemData

Smile

CC(CC1=CC(=CC=C1)F)C(=O)OC2CC(=O)N(C2)CC(=O)N

DOS

IR

Vibrations