Geometry & MOs

Info

ID:

448618

PubChem CID:

135292274

Reduced:

FN5C28H32 (1)

Stoich.:

AB5C28D32 (1)

Weight, g/mol:

511.331111

ΔHf, kcal/mol:

110.93

Dipole, Da:

5.99

IP(EA), eV:

 -8.53(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3R)-4-(3-cyclobutylpropanoyl)-3-cyclopropylpiperazin-1-yl]-6-cyclopropyl-4-methyl-5-[(2E,4Z)-5-(methylideneamino)hepta-2,4,6-trien-3-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C=CC1=NC=CC(=C1F)C2=C(N=C(C(=C2)C#N)N3CCCC(NC(C3)C4CC4)C5CC5)C6CC6

DOS

IR

Vibrations