Geometry & MOs

Info

ID:

223839

PubChem CID:

85335644

Reduced:

F2O4N7C30H39 (1)

Stoich.:

A2B4C7D30E39 (1)

Weight, g/mol:

599.303159

ΔHf, kcal/mol:

-180.69

Dipole, Da:

10.6

IP(EA), eV:

 -8.77(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[[7-[3-[cyclopentyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazolidin-3-yl]-N-(2,3-difluorophenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC=N2)NC3CC(NN3)CC(=O)NC4=CC(=CC(=C4)F)F)OCCCN5CCCCC5CCO

DOS

IR

Vibrations