Geometry & MOs

Info

ID:

66338

PubChem CID:

46504360

Reduced:

N3O7C31H31 (1)

Stoich.:

A3B7C31D31 (1)

Weight, g/mol:

498.19032

ΔHf, kcal/mol:

-154.21

Dipole, Da:

4.9

IP(EA), eV:

 -8.18(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[10-(4-methoxyanilino)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-12-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C2=CC(=C3C4=C(C5=CC=CC=C5C3=O)ON=C24)NC6=CC(=C(C(=C6)OC)OC)OC

DOS

IR

Vibrations