Geometry & MOs

Info

ID:

162851

PubChem CID:

57578093

Reduced:

SN2O2H38C48 (1)

Stoich.:

AB2C2D38E48 (1)

Weight, g/mol:

937.41172

ΔHf, kcal/mol:

139.4

Dipole, Da:

4.83

IP(EA), eV:

 -7.91(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-dibutyl-N-(9,9-dibutylfluoren-2-yl)-N-[4-(3-hexyl-5-iodothiophen-2-yl)phenyl]fluoren-2-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)/C=C/C5=CC=C(S5)/C=C/C=C(/C(=O)O)\[N+]#[C-])C6=CC7=C(C=C6)C8=CC=CC=C8C7(C)C)C

DOS

IR

Vibrations