Geometry & MOs

Info

ID:

435768

PubChem CID:

135192368

Reduced:

BrClO2F5N10H27C28 (1)

Stoich.:

ABC2D5E10F27G28 (1)

Weight, g/mol:

284.163711

ΔHf, kcal/mol:

-175.03

Dipole, Da:

10.24

IP(EA), eV:

 -8.48(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,9-dimethyl-3,4,7,18-tetrazatricyclo[12.3.1.02,6]octadeca-1(17),2(6),4,14(18),15-pentaen-8-one

Drug info:

PubChemData

Smile

CC1CCCC(C2=NC=CC(=C2)/C(=N\C(F)F)/C(=C\N)/NC1=O)N3C=NC(=C(C3=O)Br)C4=C(N=CC(=C4)Cl)N(/C=C(/C(F)(F)F)\N)N

DOS

IR

Vibrations