Geometry & MOs

Info

ID:	129772
PubChem CID:	51073799
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	310.134223
ΔH_f, kcal/mol:	-21.38
Dipole, Da:	4.92
IP(EA), eV:	-9.09(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline

Drug info:

PubChemData

Smile

CN(CC1=CN(N=C1)C2=CC=CC=C2)CC(=O)NCCCOC

DOS

IR

Vibrations