Geometry & MOs

Info

ID:	6458
PubChem CID:	68663
Reduced:	FON3C24H26 (1)
Stoich.:	ABC3D24E26 (1)
Weight, g/mol:	391.205991
ΔH_f, kcal/mol:	-18.8
Dipole, Da:	1.0
IP(EA), eV:	-8.24(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-4-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)butan-1-one

Drug info:

PubChemData

Smile

C1CN2CC3=C(CC2CN1CCCC(=O)C4=CC=C(C=C4)F)C5=CC=CC=C5N3

DOS

IR

Vibrations