Geometry & MOs

Info

ID:

426006

PubChem CID:

135134771

Reduced:

ClN7C22H24 (1)

Stoich.:

AB7C22D24 (1)

Weight, g/mol:

409.178172

ΔHf, kcal/mol:

126.04

Dipole, Da:

4.94

IP(EA), eV:

 -8.23(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[9-(2-chlorophenyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaen-13-yl]-N,N,N'-trimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C2C(=NC3=C(C=C(N=C3)CN4CCN(CC4)C)C(=N2)C5=CC=CC=C5Cl)NN1

DOS

IR

Vibrations