Geometry & MOs

Info

ID:	280812
PubChem CID:	103851382
Reduced:	ON2F3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	252.195011
ΔH_f, kcal/mol:	-151.1
Dipole, Da:	5.57
IP(EA), eV:	-9.93(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNCC(C(F)(F)F)O)C#N

DOS

IR

Vibrations