Geometry & MOs

Info

ID:

299556

PubChem CID:

117687567

Reduced:

N3O9C41H45 (1)

Stoich.:

A3B9C41D45 (1)

Weight, g/mol:

626.262816

ΔHf, kcal/mol:

-198.86

Dipole, Da:

7.41

IP(EA), eV:

 -8.46(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-methoxy-4-[2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethoxy]phenyl]-6-methyl-2,3-dihydro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CC(=NO2)C3=CC(=C(C(=C3)OC)OC)OC)OCCCCCCCOC4=C(C=C(C=C4)C5NC6=CC=CC=C6C(=O)N5)OC

DOS

IR

Vibrations