Geometry & MOs

Info

ID:	190352
PubChem CID:	77990438
Reduced:	O5C14H14 (1)
Stoich.:	A5B14C14 (1)
Weight, g/mol:	441.136781
ΔH_f, kcal/mol:	-161.54
Dipole, Da:	1.42
IP(EA), eV:	-9.27(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azetidin-1-yl)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]but-2-enamide

Drug info:

PubChemData

Smile

COC(=O)C=CC=C(C1=CC(=CC=C1)O)C(=O)OC

DOS

IR

Vibrations