Geometry & MOs

Info

ID:	420865
PubChem CID:	135114942
Reduced:	ON7C13H17 (1)
Stoich.:	AB7C13D17 (1)
Weight, g/mol:	394.21689
ΔH_f, kcal/mol:	65.79
Dipole, Da:	10.13
IP(EA), eV:	-8.48(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(1R,5S)-3-(4-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CN=C(N1)CN(C)CC2=NC(=O)C3=CNN(C3=N2)C

DOS

IR

Vibrations