Geometry & MOs

Info

ID:	306381
PubChem CID:	125011505
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	465.252861
ΔH_f, kcal/mol:	-63.74
Dipole, Da:	4.56
IP(EA), eV:	-9.2(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-3-(pyridin-4-ylmethylamino)phenyl]-[(1S,5S)-3-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)[C@@H]2CN(CCO2)CC(=O)N3CCCC3

DOS

IR

Vibrations