Geometry & MOs

Info

ID:	83877
PubChem CID:	49862120
Reduced:	Cl2F3N3O5H22C28 (1)
Stoich.:	A2B3C3D5E22F28 (1)
Weight, g/mol:	292.124801
ΔH_f, kcal/mol:	-241.81
Dipole, Da:	7.87
IP(EA), eV:	-10.02(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-7-(diethylamino)-5,8-difluoroquinazoline-6-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)COC3=NC(=C(C=C3)N(C)C(=O)C4=CC=C(C=C4)C(=O)O)C(F)(F)F

DOS

IR

Vibrations