Geometry & MOs

Info

ID:

439185

PubChem CID:

135228950

Reduced:

ON2C13H15 (2)

Stoich.:

AB2C13D15 (2)

Weight, g/mol:

479.271882

ΔHf, kcal/mol:

-12.79

Dipole, Da:

4.4

IP(EA), eV:

 -7.94(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E,5E)-1-[4-[2-[7-ethenyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]-1-nitrosoethyl]piperidin-1-yl]-N-methyl-6-methylsulfanylhepta-3,5-dien-1-imine

Drug info:

PubChemData

Smile

C1CC(CCC1OC2=CC3=C(C=C2)NCC3)([C@H](CC4C5=CC=CC=C5C6=CN=CN46)O)N

DOS

IR

Vibrations