Geometry & MOs

Info

ID:	425747
PubChem CID:	135127784
Reduced:	FON4H21C26 (1)
Stoich.:	ABC4D21E26 (1)
Weight, g/mol:	425.246713
ΔH_f, kcal/mol:	51.19
Dipole, Da:	3.92
IP(EA), eV:	-8.8(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-[[(3E,5Z)-3-ethenylhepta-3,5-dien-2-ylidene]amino]-4-methoxy-5-propylphenyl]ethenylamino]benzonitrile

Drug info:

PubChemData

Smile

COC1=CC(CC=C1)C2=CC3=C(C=C2)N=C(N=C3NC4=CC(=CC=C4)F)C5=CN=CC=C5

DOS

IR

Vibrations