Geometry & MOs

Info

ID:	351618
PubChem CID:	127280510
Reduced:	N4O4C19H24 (1)
Stoich.:	A4B4C19D24 (1)
Weight, g/mol:	372.179755
ΔH_f, kcal/mol:	-136.83
Dipole, Da:	4.92
IP(EA), eV:	-9.2(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(=O)CO4

DOS

IR

Vibrations