Geometry & MOs

Info

ID:	121359
PubChem CID:	50764854
Reduced:	SN3O7C24H27 (1)
Stoich.:	AB3C7D24E27 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-243.23
Dipole, Da:	2.43
IP(EA), eV:	-8.43(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-(2,4-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(O1)C=C(C(=C2)C)S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations