Geometry & MOs

Info

ID:

312791

PubChem CID:

126608664

Reduced:

O2N3C18H25 (1)

Stoich.:

A2B3C18D25 (1)

Weight, g/mol:

630.121448

ΔHf, kcal/mol:

-24.81

Dipole, Da:

12.17

IP(EA), eV:

 -7.64(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,7,16-trimethyl-17,26,27-tris(trifluoromethyl)-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),5,7,10,12,14(19),15,17,20,22,24(29),25,27-pentadecaene

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1C(C2(C1=O)CCCN2C)C3=CC=CC=C3)N

DOS

IR

Vibrations