Geometry & MOs

Info

ID:

329368

PubChem CID:

126735525

Reduced:

FON4C19H21 (1)

Stoich.:

ABC4D19E21 (1)

Weight, g/mol:

430.255105

ΔHf, kcal/mol:

-16.39

Dipole, Da:

6.12

IP(EA), eV:

 -8.57(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,4Z)-2-(chloromethyl)-N-[1-[3-ethyl-4-methyl-5-[2-methyl-1-(methylamino)penta-1,4-dien-3-yl]cyclohepta-1,3,6-trien-1-yl]ethenyl]-3-fluorohexa-2,4-dien-1-amine

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)/C(=C/N)/C=N)NC

DOS

IR

Vibrations