Geometry & MOs

Info

ID:	395625
PubChem CID:	135026043
Reduced:	OC12H18 (1)
Stoich.:	AB12C18 (1)
Weight, g/mol:	434.329714
ΔH_f, kcal/mol:	-17.39
Dipole, Da:	2.41
IP(EA), eV:	-8.52(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,13R,14R)-8,14,16-tritert-butyl-3,3-dimethyl-4,12-diazatetracyclo[11.4.0.01,5.06,11]heptadeca-5,7,9,11,16-pentaen-15-one

Drug info:

PubChemData

Smile

C/C=C/C=C/C=C\CCCCC=O

DOS

IR

Vibrations