Geometry & MOs

Info

ID:

223816

PubChem CID:

85335615

Reduced:

N5O9C28H31 (1)

Stoich.:

A5B9C28D31 (1)

Weight, g/mol:

585.287509

ΔHf, kcal/mol:

-313.35

Dipole, Da:

7.11

IP(EA), eV:

 -8.87(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(C(=O)O)NC(=O)C(CC1=CC2=CC=CC=C2C=C1)N)OC(=O)NC3=NC(=O)N(C=C3)C4C(=C)C(C(O4)CO)O

DOS

IR

Vibrations