Geometry & MOs

Info

ID:	136412
PubChem CID:	52035573
Reduced:	O4N5C27H41 (1)
Stoich.:	A4B5C27D41 (1)
Weight, g/mol:	346.154209
ΔH_f, kcal/mol:	-167.47
Dipole, Da:	6.89
IP(EA), eV:	-9.45(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)acetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)C2=NN=C3N2C4CCCCC4N(C3=O)CCC(=O)NC5CCC6C(C5)OCCO6

DOS

IR

Vibrations