Geometry & MOs

Info

ID:	415368
PubChem CID:	135088362
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	563.347155
ΔH_f, kcal/mol:	14.69
Dipole, Da:	2.74
IP(EA), eV:	-9.17(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,13S)-14-(2-methoxyacetyl)-2-(3-methylbutanoyl)-6-[(4-pyridin-2-ylphenyl)methyl]-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

CCC1=NNC(=N1)CN2CCCN(CC2)C(=O)C3CCC4=CC=CC=C34

DOS

IR

Vibrations