Geometry & MOs

Info

ID:

214845

PubChem CID:

85083735

Reduced:

FN3O4H32C34 (1)

Stoich.:

AB3C4D32E34 (1)

Weight, g/mol:

621.19507

ΔHf, kcal/mol:

-106.37

Dipole, Da:

7.67

IP(EA), eV:

 -8.85(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-methoxy-N-[4-(C-methyl-N-phenylmethoxycarbonimidoyl)phenyl]-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;hydrobromide

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=NC(C(C4=CC=CC=C4F)O)C(=O)O)C5=CC=CC=C5

DOS

IR

Vibrations