Geometry & MOs

Info

ID:

446497

PubChem CID:

135275460

Reduced:

NOH37C57 (1)

Stoich.:

ABC37D57 (1)

Weight, g/mol:

270.173213

ΔHf, kcal/mol:

323.53

Dipole, Da:

0.97

IP(EA), eV:

 -7.99(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,16S)-4,16-dimethyl-4,12-diazatetracyclo[13.1.1.02,12.05,10]heptadeca-5,7,9-trien-11-one

Drug info:

PubChemData

Smile

C1CC(=CC=C1C2=CC=CC3=C2OC4=CC=CC=C34)N(C5=CC=CC6=C5C7=C(C=CC#C7)C=C6)C8=CC=CC9=C8C1=CC=CC=C1C9(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations