Geometry & MOs

Info

ID:	157944
PubChem CID:	56459333
Reduced:	NOF3H9C10 (2)
Stoich.:	ABC3D9E10 (2)
Weight, g/mol:	445.247775
ΔH_f, kcal/mol:	-357.1
Dipole, Da:	6.09
IP(EA), eV:	-9.15(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC(=CC=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations