Geometry & MOs

Info

ID:	48496
PubChem CID:	10587968
Reduced:	N2O4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-162.73
Dipole, Da:	2.93
IP(EA), eV:	-9.64(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methylpiperazin-1-yl)ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCCCOC(=O)C(CC(=O)OCC)N1C=CN=C1

DOS

IR

Vibrations