Geometry & MOs

Info

ID:

441959

PubChem CID:

135247139

Reduced:

F2N3H23C34 (1)

Stoich.:

A2B3C23D34 (1)

Weight, g/mol:

607.3239

ΔHf, kcal/mol:

68.11

Dipole, Da:

4.39

IP(EA), eV:

 -8.84(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[4-[4-(7-cyclohexa-1,3-dien-1-yl-4,4a-dihydrobenzo[c]fluoren-7-yl)phenyl]phenyl]-4a,5,6,7-tetrahydronaphthalen-2-yl]methanamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C=C(NC(=N2)C3=CC4=C(C=C3)C(C5=C4C=C(C=C5)C6=CC=NC=C6)(F)F)C7=CC=CC=C7

DOS

IR

Vibrations