Geometry & MOs

Info

ID:

66342

PubChem CID:

46504373

Reduced:

N3O7C31H31 (1)

Stoich.:

A3B7C31D31 (1)

Weight, g/mol:

592.232185

ΔHf, kcal/mol:

-156.06

Dipole, Da:

4.91

IP(EA), eV:

 -8.13(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-[4-(4-methoxyphenyl)piperazin-1-yl]-10-(3,4,5-trimethoxyanilino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)C2=CC(=C3C4=C(C5=CC=CC=C5C3=O)ON=C24)NC6=CC(=C(C(=C6)OC)OC)OC

DOS

IR

Vibrations