Geometry & MOs

Info

ID:

89996

PubChem CID:

49965771

Reduced:

N4O7C37H46 (1)

Stoich.:

A4B7C37D46 (1)

Weight, g/mol:

658.33665

ΔHf, kcal/mol:

-193.63

Dipole, Da:

8.14

IP(EA), eV:

 -8.67(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8E)-2-amino-4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-8-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile

Drug info:

PubChemData

Smile

CCN(CC)C(=O)COC1=C(C=C(C=C1)/C=C/2\CCCC3=C2OC(=C(C3C4=CC(=C(C=C4)OCC(=O)N(CC)CC)OC)C#N)N)OC

DOS

IR

Vibrations