Geometry & MOs

Info

ID:

426181

PubChem CID:

135142020

Reduced:

ON3C16H18 (2)

Stoich.:

AB3C16D18 (2)

Weight, g/mol:

464.120858

ΔHf, kcal/mol:

19.11

Dipole, Da:

6.22

IP(EA), eV:

 -8.3(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(16-methoxy-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-9-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(CC(=O)NC2=CN=CC=C2)C3=C(C(=C(C=C3)NC)N)C)CN4CCOC5=C(C4)N=CC=C5

DOS

IR

Vibrations