Geometry & MOs

Info

ID:	435568
PubChem CID:	135191827
Reduced:	O2C17H30 (1)
Stoich.:	A2B17C30 (1)
Weight, g/mol:	407.273676
ΔH_f, kcal/mol:	-104.96
Dipole, Da:	1.78
IP(EA), eV:	-8.48(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[4-(4-fluorophenyl)hexyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene

Drug info:

PubChemData

Smile

CCOCCOCC1=C(C=CCC1C(C)C)C(C)C

DOS

IR

Vibrations