Geometry & MOs

Info

ID:	418028
PubChem CID:	135103348
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	355.153206
ΔH_f, kcal/mol:	-89.33
Dipole, Da:	3.98
IP(EA), eV:	-9.03(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-[2-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CN(CCC1CO)C(=O)C2=C(ON=C2N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations