Geometry & MOs

Info

ID:	351625
PubChem CID:	127280517
Reduced:	N4O4C21H26 (1)
Stoich.:	A4B4C21D26 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-137.18
Dipole, Da:	8.92
IP(EA), eV:	-9.15(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-oxo-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations