Geometry & MOs

Info

ID:	446564
PubChem CID:	135276032
Reduced:	O2N6C17H24 (1)
Stoich.:	A2B6C17D24 (1)
Weight, g/mol:	388.201159
ΔH_f, kcal/mol:	-1.07
Dipole, Da:	5.41
IP(EA), eV:	-8.58(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]benzamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=C(C=C(C=C3)OCCOC)N=C2NCCCCN

DOS

IR

Vibrations