Geometry & MOs

Info

ID:	194957
PubChem CID:	78613068
Reduced:	O2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-4.71
Dipole, Da:	1.37
IP(EA), eV:	-8.86(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C=CC(=O)NNC(=O)C2=CC=CN2

DOS

IR

Vibrations