Geometry & MOs

Info

ID:

318616

PubChem CID:

126652305

Reduced:

NH8C13 (8)

Stoich.:

AB8C13 (8)

Weight, g/mol:

545.026549

ΔHf, kcal/mol:

512.15

Dipole, Da:

2.98

IP(EA), eV:

 -7.97(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyldocosa-1,3,5,7,9,11,13,15,17,19,21-undecayn-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=NC(=NC3=CC=CC=C31)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)N(C3=CC=CC=C34)C3=CC=CC=C3)C3=C1C=CC(=C3)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations