Geometry & MOs

Info

ID:	421846
PubChem CID:	135116714
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	446.289306
ΔH_f, kcal/mol:	1.78
Dipole, Da:	5.79
IP(EA), eV:	-9.72(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,13S)-6-(2,5-dimethylfuran-3-carbonyl)-2-(3-methylbutanoyl)-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C(=O)N2CCCN(CC2)C(=O)C3=CC=CC(=C3)C#N

DOS

IR

Vibrations