Geometry & MOs

Info

ID:	434555
PubChem CID:	135175189
Reduced:	ClFN5O5C34H45 (1)
Stoich.:	ABC5D5E34F45 (1)
Weight, g/mol:	415.121131
ΔH_f, kcal/mol:	-191.95
Dipole, Da:	8.95
IP(EA), eV:	-8.51(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCCOCCCCOCCCCCC=O

DOS

IR

Vibrations