Geometry & MOs

Info

ID:	320022
PubChem CID:	126657913
Reduced:	OH9C14 (2)
Stoich.:	AB9C14 (2)
Weight, g/mol:	591.277631
ΔH_f, kcal/mol:	33.56
Dipole, Da:	0.1
IP(EA), eV:	-8.38(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(3-chloro-4-fluoroanilino)-7-(spiro[3.5]nonan-2-ylmethoxy)quinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide

Drug info:

PubChemData

Smile

CC1=CC2=CC3=C(C=C2C=C1)OC4=CC5=C(C=C43)OC6=C5C=C7C=C(C=CC7=C6)C

DOS

IR

Vibrations