Geometry & MOs

Info

ID:	351585
PubChem CID:	127280477
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-115.97
Dipole, Da:	5.31
IP(EA), eV:	-9.17(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(=O)CC4

DOS

IR

Vibrations