Geometry & MOs

Info

ID:

190554

PubChem CID:

78020180

Reduced:

O2N5C31H33 (1)

Stoich.:

A2B5C31D33 (1)

Weight, g/mol:

478.258006

ΔHf, kcal/mol:

-18.59

Dipole, Da:

6.05

IP(EA), eV:

 -8.77(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-cyclohexa-1,5-dien-1-yl-13-[3-[2-hydroxyethyl(methyl)amino]propyl]-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

CC1CC2CCCC(C1)(C2)C(=O)NC3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=O)NC6=NC=CC(=C6)C

DOS

IR

Vibrations