Geometry & MOs

Info

ID:	143699
PubChem CID:	53250405
Reduced:	ON5C27H39 (1)
Stoich.:	AB5C27D39 (1)
Weight, g/mol:	332.168877
ΔH_f, kcal/mol:	-24.68
Dipole, Da:	5.17
IP(EA), eV:	-8.89(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-2-(4-fluorophenyl)ethenyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene

Drug info:

PubChemData

Smile

CC1(CCC(C2=C1C=CC(=C2)C3=NC(=NC=N3)N4CCC(CC4)N5CCCC(C5)O)(C)C)C

DOS

IR

Vibrations