Geometry & MOs

Info

ID:	378544
PubChem CID:	134224633
Reduced:	OSN2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	438.209599
ΔH_f, kcal/mol:	16.46
Dipole, Da:	7.7
IP(EA), eV:	-8.27(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(4-tert-butylphenyl)-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

CC(C)(C)C1=CON=C1CC(C)(C)C2=CC=NS2

DOS

IR

Vibrations