Geometry & MOs

Info

ID:	187424
PubChem CID:	77571703
Reduced:	FO2Cl3N4C19H20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	388.110232
ΔH_f, kcal/mol:	-118.49
Dipole, Da:	3.34
IP(EA), eV:	-8.99(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-fluorophenyl)-6-methoxy-7-pyrrolidin-3-yloxyquinazolin-4-amine

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C(=CC=C3)Cl)F)OC4CCNC4.Cl.Cl

DOS

IR

Vibrations