Geometry & MOs

Info

ID:	121033
PubChem CID:	50753827
Reduced:	O3N5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	468.227374
ΔH_f, kcal/mol:	-8.61
Dipole, Da:	4.44
IP(EA), eV:	-9.2(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-11-phenyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=NC(=N2)C3=CC=CC=C3)N1CC(=O)N4CCOCC4)CC5=CC=CC=C5

DOS

IR

Vibrations