Geometry & MOs

Info

ID:

223799

PubChem CID:

85335589

Reduced:

NO3C17H17 (2)

Stoich.:

AB3C17D17 (2)

Weight, g/mol:

571.271859

ΔHf, kcal/mol:

-178.02

Dipole, Da:

5.7

IP(EA), eV:

 -8.15(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,3-difluorophenyl)-2-[5-[[7-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C3=CC(=C(C=C3CCN2C(=C1C4=CC(=CC=C4)C(=O)NC5C(CC6=CC=CC=C56)O)C)OC)OC

DOS

IR

Vibrations