Geometry & MOs

Info

ID:	163516
PubChem CID:	58023893
Reduced:	OF4N4H11C15 (1)
Stoich.:	AB4C4D11E15 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-155.53
Dipole, Da:	4.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.129792
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-hydroxypyrrolidin-1-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C(C(F)(F)F)NC(=O)C2=[N+]3C=CC=C(C3=CN2)F

DOS

IR

Vibrations