Geometry & MOs

Info

ID:	190495
PubChem CID:	78011880
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	-29.84
Dipole, Da:	2.91
IP(EA), eV:	-9.58(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-pyridin-2-ylethynyl)-1,9,11-triazatetracyclo[8.6.0.03,8.011,15]hexadecan-2-one

Drug info:

PubChemData

Smile

C1CC2C(CC1C#CC3=CC=CC=N3)NC4CC5COCC5CCN4C2=O

DOS

IR

Vibrations