Geometry & MOs

Info

ID:

435509

PubChem CID:

135191673

Reduced:

ON2H52C58 (1)

Stoich.:

AB2C52D58 (1)

Weight, g/mol:

281.105193

ΔHf, kcal/mol:

259.18

Dipole, Da:

2.17

IP(EA), eV:

 -7.75(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-methoxy-6-methyl-4-oxa-6-azatetracyclo[7.7.1.03,7.013,17]heptadeca-1(16),2,9(17),10,12,14-hexaen-5-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2C3=C(C4=C(C5C(CC=CC5N4C6=CC=CC=C6)C)C(=C3)C7=CC=C(C=C7)N8C9=CCCCC(=C9)C3=C8C=CC(=C3)C3=C(C4=C(C4)C=C3)C)OC3=C2C1C(=CC(=C3)C)C

DOS

IR

Vibrations