Geometry & MOs

Info

ID:	306084
PubChem CID:	125001596
Reduced:	ON3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	470.223038
ΔH_f, kcal/mol:	11.91
Dipole, Da:	6.3
IP(EA), eV:	-8.54(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(2-fluorophenyl)methyl]pyridin-3-yl]-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)[C@@H]2CCCN2C(=O)C3=CC=CC=C3

DOS

IR

Vibrations