Geometry & MOs

Info

ID:	21704
PubChem CID:	589588
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	-43.08
Dipole, Da:	3.98
IP(EA), eV:	-8.69(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrrolidin-1-yl-3,1-benzoxazin-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC3=CC=CC=C3C(=O)O2

DOS

IR

Vibrations