Geometry & MOs

Info

ID:	26359
PubChem CID:	645331
Reduced:	ON2H5C6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	39.34
Dipole, Da:	4.58
IP(EA), eV:	-9.11(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-hydroxy-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-4,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=COC=C3

DOS

IR

Vibrations