Geometry & MOs

Info

ID:

431072

PubChem CID:

135171142

Reduced:

ON4C25H30 (1)

Stoich.:

AB4C25D30 (1)

Weight, g/mol:

491.326026

ΔHf, kcal/mol:

35.01

Dipole, Da:

2.81

IP(EA), eV:

 -9.14(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[(E,2E)-4-[2-(3-but-3-ynyldiazirin-3-yl)ethoxy]-2-ethylidenepent-3-enyl]amino]cyclohexyl]-4-ethenyl-N-ethyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCCC(C1)NC2(CC2)C3=CC=CC=C3)C(=O)C4=CC5=C(N4)C=CC=N5

DOS

IR

Vibrations