Geometry & MOs

Info

ID:

429808

PubChem CID:

135169861

Reduced:

FISN5H21C26 (1)

Stoich.:

ABCD5E21F26 (1)

Weight, g/mol:

494.190516

ΔHf, kcal/mol:

127.22

Dipole, Da:

4.47

IP(EA), eV:

 -9.13(-2.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z)-2-[N-[1-(1,1-difluoroethyl)isoquinolin-4-yl]-C-(trifluoromethyl)carbonimidoyl]-3-N-[(2E,4E,6E)-5-fluoroocta-2,4,6-trien-3-yl]buta-1,3-diene-1,3-diamine

Drug info:

PubChemData

Smile

CN(CC=C)CC1=CC2=C(N=C1)N(C=C2C3=CC4=C(C=CN=C4C(=C3)F)C5=CN=CC=C5)SI

DOS

IR

Vibrations