Geometry & MOs

Info

ID:	351525
PubChem CID:	127280413
Reduced:	N3O3C16H27 (1)
Stoich.:	A3B3C16D27 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-117.06
Dipole, Da:	5.29
IP(EA), eV:	-9.14(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-3-[4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)COCC3CC3

DOS

IR

Vibrations