Geometry & MOs

Info

ID:	189397
PubChem CID:	77849475
Reduced:	SN2O5C14H20 (1)
Stoich.:	AB2C5D14E20 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-178.73
Dipole, Da:	8.24
IP(EA), eV:	-9.32(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(dimethylamino)azepane-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN2CCN(C3C2CS(=O)(=O)C3)C(=O)CO

DOS

IR

Vibrations