Geometry & MOs

Info

ID:

299925

PubChem CID:

117948490

Reduced:

ClNO4C21H24 (1)

Stoich.:

ABC4D21E24 (1)

Weight, g/mol:

570.303499

ΔHf, kcal/mol:

-125.66

Dipole, Da:

3.48

IP(EA), eV:

 -9.14(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(5-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-8-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-8-azatricyclo[7.3.1.02,7]trideca-1(12),2(7),3,5,10-pentaen-10-amine

Drug info:

PubChemData

Smile

CC#CC1=CC(=C(C(=C1)Cl)C2C(=O)C3(CCC(CC3)OC)N(C2=O)C)OC

DOS

IR

Vibrations