Geometry & MOs

Info

ID:

190800

PubChem CID:

78058664

Reduced:

NaO3N6C26H31 (1)

Stoich.:

AB3C6D26E31 (1)

Weight, g/mol:

405.171336

ΔHf, kcal/mol:

-49.6

Dipole, Da:

8.04

IP(EA), eV:

 -7.58(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-fluoro-12-[4-(methylaminomethyl)phenyl]-13-(1H-1,2,4-triazol-5-yl)-2,3,11-triazatricyclo[7.4.1.05,14]tetradeca-1(14),2,6,8-tetraen-4-one

Drug info:

PubChemData

Smile

C1CN(CCC12CC2C(=O)[O-])C3=CC=C(C=C3)NC4C5C(CNNC5=O)NC(N4)C6=CC=CC=C6.[Na+]

DOS

IR

Vibrations