Geometry & MOs

Info

ID:

428025

PubChem CID:

135165782

Reduced:

NOH19C28 (1)

Stoich.:

ABC19D28 (1)

Weight, g/mol:

412.193949

ΔHf, kcal/mol:

81.45

Dipole, Da:

3.42

IP(EA), eV:

 -8.01(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10,15-diethyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene

Drug info:

PubChemData

Smile

CCN1C2=C(C3=C(C=C2)OC4=CC=CC=C43)C5=C1C6=CC=CC=C6C7=CC=CC=C75

DOS

IR

Vibrations