Geometry & MOs

Info

ID:	351605
PubChem CID:	127280497
Reduced:	N4O4C17H26 (1)
Stoich.:	A4B4C17D26 (1)
Weight, g/mol:	386.195405
ΔH_f, kcal/mol:	-184.09
Dipole, Da:	1.69
IP(EA), eV:	-9.18(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)CCN3C(=O)CCC3=O

DOS

IR

Vibrations