Geometry & MOs

Info

ID:

435671

PubChem CID:

135192123

Reduced:

ON7C33H33 (1)

Stoich.:

AB7C33D33 (1)

Weight, g/mol:

581.043169

ΔHf, kcal/mol:

120.66

Dipole, Da:

7.09

IP(EA), eV:

 -8.22(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(Z)-1-amino-2-[N-amino-2,6-dichloro-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)anilino]ethenyl]-2-(methoxyamino)benzonitrile

Drug info:

PubChemData

Smile

CC1(CC=C(C=N1)C2=CN(C3=NC=NC(=C23)N)C)NC(=C)C4=CC5=C(CC6(CC6)CC5=C)N(C4=O)C7=CC=CC=C7

DOS

IR

Vibrations