Geometry & MOs

Info

ID:

190555

PubChem CID:

78020410

Reduced:

N4O4C27H34 (1)

Stoich.:

A4B4C27D34 (1)

Weight, g/mol:

446.231791

ΔHf, kcal/mol:

-115.03

Dipole, Da:

6.83

IP(EA), eV:

 -8.32(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-cyclohexa-1,5-dien-1-yl-13-[2-(cyclopropylamino)ethyl]-4-methoxy-15-methyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione

Drug info:

PubChemData

Smile

CC12CC3=C(C(N1C(=O)N(C2=O)CCCN(C)CCO)C4=CCCC=C4)NC5=C3C=C(C=C5)OC

DOS

IR

Vibrations