Geometry & MOs

Info

ID:	320010
PubChem CID:	126657850
Reduced:	NOC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	582.252145
ΔH_f, kcal/mol:	-65.97
Dipole, Da:	2.75
IP(EA), eV:	-8.36(2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-4-(3-methylpyrrolidin-1-yl)but-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)N1CC2CCOCC1C2

DOS

IR

Vibrations