Geometry & MOs

Info

ID:	49405
PubChem CID:	11532981
Reduced:	ClN3O4H20C26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	473.162996
ΔH_f, kcal/mol:	-61.59
Dipole, Da:	3.0
IP(EA), eV:	-9.53(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N,1-dimethylpiperidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C(=O)O)NC(=O)C2=C(N=CC(=C2)Cl)OC3=CC=CC(=C3)C4=CC=CC=N4

DOS

IR

Vibrations