Geometry & MOs

Info

ID:

445596

PubChem CID:

135268436

Reduced:

FO2N5H24C25 (1)

Stoich.:

AB2C5D24E25 (1)

Weight, g/mol:

515.17173

ΔHf, kcal/mol:

-12.45

Dipole, Da:

5.73

IP(EA), eV:

 -8.57(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[[(3Z)-4-fluoro-3-(7-morpholin-4-yl-1H-quinazolin-4-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]-nitrosomethyl]pyridazin-3-yl]oxypropanenitrile

Drug info:

PubChemData

Smile

CC1=C(N=NC=C1)C(C2=CC(=C(C=C2C)F)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5)O

DOS

IR

Vibrations