Geometry & MOs

Info

ID:	336543
PubChem CID:	127255550
Reduced:	ClFO2N4H16C18 (1)
Stoich.:	ABC2D4E16F18 (1)
Weight, g/mol:	197.015603
ΔH_f, kcal/mol:	-52.49
Dipole, Da:	7.42
IP(EA), eV:	-8.73(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-7-fluoroquinazolin-6-amine

Drug info:

PubChemData

Smile

C1COC[C@H]1OC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)Cl)F)N

DOS

IR

Vibrations