Geometry & MOs

Info

ID:	83881
PubChem CID:	49862166
Reduced:	Cl2N2O2F3H17C20 (1)
Stoich.:	A2B2C2D3E17F20 (1)
Weight, g/mol:	429.146871
ΔH_f, kcal/mol:	-167.47
Dipole, Da:	4.6
IP(EA), eV:	-9.57(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-5,7-bis(benzylamino)-8-chloroquinazoline-6-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)OCC2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C(C)C)C(F)(F)F

DOS

IR

Vibrations