Geometry & MOs

Info

ID:	351638
PubChem CID:	127280530
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	386.195405
ΔH_f, kcal/mol:	-89.99
Dipole, Da:	8.31
IP(EA), eV:	-9.06(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C4CC4

DOS

IR

Vibrations