Geometry & MOs

Info

ID:	191303
PubChem CID:	78127720
Reduced:	FN5O6C34H42 (1)
Stoich.:	AB5C6D34E42 (1)
Weight, g/mol:	398.155432
ΔH_f, kcal/mol:	-252.89
Dipole, Da:	2.93
IP(EA), eV:	-9.13(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-(3-hydroxyazetidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CC2C(C(C1)F)C(NNC2=O)OCC3=CC(=CC=C3)C(=O)N4CCN(CC4)C(=O)C5CCN(CC5)C(C6=CC=CC=C6)C(=O)O

DOS

IR

Vibrations