Geometry & MOs

Info

ID:	423813
PubChem CID:	135120332
Reduced:	NF2O5H15C16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	376.201159
ΔH_f, kcal/mol:	-263.88
Dipole, Da:	6.11
IP(EA), eV:	-10.08(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrrolidin-1-yl-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)C(=O)CCC3=C(C=C(C=C3)F)F)C(=O)O)C(=O)O

DOS

IR

Vibrations