Geometry & MOs

Info

ID:

448614

PubChem CID:

135292248

Reduced:

FN3O4C26H32 (1)

Stoich.:

AB3C4D26E32 (1)

Weight, g/mol:

446.27941

ΔHf, kcal/mol:

-159.38

Dipole, Da:

2.19

IP(EA), eV:

 -8.77(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-3-[(3R)-4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-3-[(E)-1-cyclopropylpropylideneamino]-2-[(Z)-(penta-1,4-dien-3-ylidenehydrazinylidene)methyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CCC1CN(CCN1C(=O)CCOC)C2=C(C=C(C(=N2)C3CC3)C4=CC=C(C=C4)F)C(=O)OC

DOS

IR

Vibrations