Geometry & MOs

Info

ID:	242260
PubChem CID:	96099665
Reduced:	O3N4C15H18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	342.132805
ΔH_f, kcal/mol:	11.49
Dipole, Da:	3.84
IP(EA), eV:	-9.65(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)[C@H]2CCCN2C(=O)C3=NOC(=C3)C4CC4

DOS

IR

Vibrations