Geometry & MOs

Info

ID:	122298
PubChem CID:	50801572
Reduced:	F3N6H25C26 (1)
Stoich.:	A3B6C25D26 (1)
Weight, g/mol:	440.23246
ΔH_f, kcal/mol:	-31.95
Dipole, Da:	2.25
IP(EA), eV:	-8.84(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-methoxyphenyl)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)C2=NN3C(=C4CCCC4=NC3=N2)N5CCN(CC5)C6=CC=CC(=C6)C(F)(F)F

DOS

IR

Vibrations