Geometry & MOs

Info

ID:

44136

PubChem CID:

10501059

Reduced:

NOC13H13 (2)

Stoich.:

ABC13D13 (2)

Weight, g/mol:

398.210661

ΔHf, kcal/mol:

13.05

Dipole, Da:

5.3

IP(EA), eV:

 -8.75(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(16-methoxy-4,12-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaen-3-yl)-N',N'-dimethylpropane-1,3-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CNCC(COC2=CC=CC3=C2C=CC=N3)O)C4=CC=CC=C4

DOS

IR

Vibrations