Geometry & MOs

Info

ID:	329891
PubChem CID:	127246758
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	353.146345
ΔH_f, kcal/mol:	35.14
Dipole, Da:	4.87
IP(EA), eV:	-8.63(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C2CC2)C(=O)N3CCCC3C4=CC(=NC=C4)NC

DOS

IR

Vibrations