Geometry & MOs

Info

ID:	361319
PubChem CID:	127302514
Reduced:	OSN6C14H26 (1)
Stoich.:	ABC6D14E26 (1)
Weight, g/mol:	331.114376
ΔH_f, kcal/mol:	-14.84
Dipole, Da:	3.66
IP(EA), eV:	-8.64(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN=C(S1)NC(=O)NCC2CN(CCN2C)C

DOS

IR

Vibrations