Geometry & MOs

Info

ID:

390981

PubChem CID:

135001981

Reduced:

F4N4O7H36C37 (1)

Stoich.:

A4B4C7D36E37 (1)

Weight, g/mol:

423.219829

ΔHf, kcal/mol:

-375.69

Dipole, Da:

11.98

IP(EA), eV:

 -8.35(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9R,10R,12R,16R)-8-benzyl-10-methoxy-9-(4-methylphenyl)-13-oxa-8-azatetracyclo[9.5.0.02,7.012,16]hexadeca-1(11),2,4,6-tetraene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(F)(F)F)NC(=NC2=C(C=CC=C2F)/C=C\C(=O)OC)N3CCN(CC3)C4=CC(=CC=C4)OC.C1=CC=C(C(=C1)C(=O)O)O

DOS

IR

Vibrations