Geometry & MOs

Info

ID:	77520
PubChem CID:	49649923
Reduced:	N3O4H17C18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	-86.69
Dipole, Da:	2.44
IP(EA), eV:	-10.19(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclobutanecarbonyl)-5-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-3-oxopentanenitrile

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)C(C#N)C(=O)C2=CC=CC=C2CN3C(=O)CNC3=O

DOS

IR

Vibrations