Geometry & MOs

Info

ID:

223780

PubChem CID:

85335560

Reduced:

FO4N7C28H36 (1)

Stoich.:

AB4C7D28E36 (1)

Weight, g/mol:

553.281281

ΔHf, kcal/mol:

-103.79

Dipole, Da:

6.5

IP(EA), eV:

 -8.65(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[[7-[3-[cyclopropyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazolidin-3-yl]-N-(3-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC=N2)NC3CC(NN3)CC(=O)NC4=CC(=CC=C4)F)OCCCN(CCO)CC=C

DOS

IR

Vibrations