Geometry & MOs

Info

ID:	349357
PubChem CID:	127275144
Reduced:	SN2O4C16H30 (1)
Stoich.:	AB2C4D16E30 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-202.34
Dipole, Da:	8.18
IP(EA), eV:	-9.14(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-4-[2-(2-methyl-1,4-oxazepan-4-yl)acetyl]-1H-quinoxalin-2-one

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)N(CC(C)C)C2CCS(=O)(=O)C2

DOS

IR

Vibrations