Geometry & MOs

Info

ID:

89997

PubChem CID:

49965772

Reduced:

N4O7C37H46 (1)

Stoich.:

A4B7C37D46 (1)

Weight, g/mol:

673.347549

ΔHf, kcal/mol:

-169.92

Dipole, Da:

4.93

IP(EA), eV:

 -8.44(-0.34)

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]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/2\CCCC3=C2OC(=C(C3C4=CC(=C(C=C4)OCCN5CCOCC5)OC)C#N)N)OCCN6CCOCC6

DOS

IR

Vibrations