Geometry & MOs

Info

ID:	365177
PubChem CID:	127316994
Reduced:	ON5C21H33 (1)
Stoich.:	AB5C21D33 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-44.26
Dipole, Da:	1.17
IP(EA), eV:	-8.72(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)CC(=O)NC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations