Geometry & MOs

Info

ID:	212509
PubChem CID:	81060765
Reduced:	NC5H7 (3)
Stoich.:	AB5C7 (3)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	18.12
Dipole, Da:	5.75
IP(EA), eV:	-8.69(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2CCCC2C(C)C

DOS

IR

Vibrations