Geometry & MOs

Info

ID:	136835
PubChem CID:	52109555
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	289.166451
ΔH_f, kcal/mol:	-24.1
Dipole, Da:	2.83
IP(EA), eV:	-8.58(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(4-morpholin-4-ylquinazolin-3-ium-2-yl)amino]propan-1-ol

Drug info:

PubChemData

Smile

COCCNC1=NC2=CC=CC=C2C(=N1)N3CCOCC3

DOS

IR

Vibrations