Geometry & MOs

Info

ID:

142097

PubChem CID:

52979640

Reduced:

ON7C32H41 (1)

Stoich.:

AB7C32D41 (1)

Weight, g/mol:

544.291037

ΔHf, kcal/mol:

44.16

Dipole, Da:

7.68

IP(EA), eV:

 -8.82(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-(9-phenyl-2,4,5,7,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-3,5-dien-3-yl)butan-1-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)C3NC(NN3C4=NN=C(N24)CCCC(=O)N5CCC(CC5)CC6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations