Geometry & MOs

Info

ID:	128560
PubChem CID:	51049925
Reduced:	NOC11H13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	455.152431
ΔH_f, kcal/mol:	-19.91
Dipole, Da:	6.63
IP(EA), eV:	-8.16(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(3-chloro-4-fluoroanilino)-7-oxo-1H-quinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide

Drug info:

PubChemData

Smile

CCCC1=C(N=CN1CCC2=CC=CC=C2OC)C3=CC=CC=C3OC

DOS

IR

Vibrations