Geometry & MOs

Info

ID:

311228

PubChem CID:

126589980

Reduced:

SN4H36C49 (1)

Stoich.:

AB4C36D49 (1)

Weight, g/mol:

639.2926

ΔHf, kcal/mol:

229.96

Dipole, Da:

6.34

IP(EA), eV:

 -8.14(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[3-(2-methylphenyl)-4-(1-naphthalen-1-ylethenyl)phenyl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(NC(N2)C3=CC=C(C=C3)N4C5=C(C6=CC=CC=C6C=C5)C7=CC8=C(C=C74)C9=CC=CC=C9C1=CC=CC=C1S8)C1=CC=CC=C1

DOS

IR

Vibrations