Geometry & MOs

Info

ID:	336542
PubChem CID:	127255549
Reduced:	FON2H8C9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	374.094582
ΔH_f, kcal/mol:	-87.4
Dipole, Da:	7.31
IP(EA), eV:	-8.76(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-chloro-3-fluorophenyl)-7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations