Geometry & MOs

Info

ID:

309143

PubChem CID:

126538538

Reduced:

NH35C56 (1)

Stoich.:

AB35C56 (1)

Weight, g/mol:

301.167794

ΔHf, kcal/mol:

250.22

Dipole, Da:

0.7

IP(EA), eV:

 -7.94(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S,10S)-3-hydroxy-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC3=C(C=C2)C4(C5=CC=CC=C5C6=CC=CC=C64)C7=CC=CC=C73)C8=CC9=C(C=C8)C1=CC=CC=C1C91C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations