Geometry & MOs

Info

ID:

445177

PubChem CID:

135264784

Reduced:

N3C23H31 (1)

Stoich.:

A3B23C31 (1)

Weight, g/mol:

1377.971945

ΔHf, kcal/mol:

28.27

Dipole, Da:

1.46

IP(EA), eV:

 -8.11(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[3-[3,4-dimethyl-4-[7-(2-methylbutan-2-yl)-9,9-dioctylfluoren-2-yl]heptan-3-yl]-5-[4-ethyl-3-methyl-4-(10-octan-4-ylanthracen-1-yl)octan-3-yl]phenyl]-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C(C)(C)C)C(=NC)NC

DOS

IR

Vibrations