Geometry & MOs

Info

ID:	353571
PubChem CID:	127285148
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	343.153206
ΔH_f, kcal/mol:	-94.35
Dipole, Da:	4.3
IP(EA), eV:	-9.51(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations