Geometry & MOs

Info

ID:	196431
PubChem CID:	78824863
Reduced:	O3N4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-81.46
Dipole, Da:	4.98
IP(EA), eV:	-9.19(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C#N)N2CCN(CC2)C(=O)C3CC(=O)N(C3)C4CCCC4

DOS

IR

Vibrations