Geometry & MOs

Info

ID:	122304
PubChem CID:	50801583
Reduced:	O2N5H23C24 (1)
Stoich.:	A2B5C23D24 (1)
Weight, g/mol:	428.212473
ΔH_f, kcal/mol:	43.16
Dipole, Da:	7.2
IP(EA), eV:	-8.67(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-fluorophenyl)piperazin-1-yl]-11-(4-methylphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=NN3C(=C4CCCC4=NC3=N2)NC5=CC6=C(C=C5)OCCO6

DOS

IR

Vibrations