Geometry & MOs

Info

ID:	446580
PubChem CID:	135276185
Reduced:	ON3C10H14 (2)
Stoich.:	AB3C10D14 (2)
Weight, g/mol:	442.269239
ΔH_f, kcal/mol:	-33.98
Dipole, Da:	4.41
IP(EA), eV:	-8.66(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butyl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=C(C=C(C=C3)OC)N=C2NCCCCC(=O)NC(C)(C)C

DOS

IR

Vibrations