Geometry & MOs

Info

ID:

309293

PubChem CID:

126542695

Reduced:

O2N10C70H79 (1)

Stoich.:

A2B10C70D79 (1)

Weight, g/mol:

199.079727

ΔHf, kcal/mol:

126.77

Dipole, Da:

9.04

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.073860

Charge, e:

 0

Chem-info

IUPAC name:

8-fluoro-5,6-dihydrobenzo[h]quinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1N(C)C)N(C3C(=C(C=CC3=N2)NCCCCCCNC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)C(=O)NCCCCCCNC6=C(C7=C(C=C6)N=C8C=C(C(=CC8=[N+]7C9=CC=CC=C9)N(C)C)C)C)C)C1=CC=CC=C1

DOS

IR

Vibrations