Geometry & MOs

Info

ID:	59595
PubChem CID:	24877535
Reduced:	SN5H21C24 (1)
Stoich.:	AB5C21D24 (1)
Weight, g/mol:	375.139448
ΔH_f, kcal/mol:	142.83
Dipole, Da:	4.13
IP(EA), eV:	-8.37(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(2,4-difluorophenoxy)quinazolin-2-yl]amino]pentane-1,5-diol

Drug info:

PubChemData

Smile

C1CSC2=CC=CC=C2N1C3=C(C=CC=N3)CN(C4=CN=CC=C4)C5=CN=CC=C5

DOS

IR

Vibrations