Geometry & MOs

Info

ID:

66340

PubChem CID:

46504364

Reduced:

O4N5C29H29 (1)

Stoich.:

A4B5C29D29 (1)

Weight, g/mol:

560.20597

ΔHf, kcal/mol:

-28.41

Dipole, Da:

8.08

IP(EA), eV:

 -8.08(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-12-[4-(2-methoxyphenyl)piperazin-1-yl]-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)N1CCN(CC1)C2=CC(=C3C4=C(C5=CC=CC=C5C3=O)ON=C24)NC6=CC=C(C=C6)N(C)C

DOS

IR

Vibrations