Geometry & MOs

Info

ID:	446585
PubChem CID:	135276220
Reduced:	O3N7C27H41 (1)
Stoich.:	A3B7C27D41 (1)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	-83.62
Dipole, Da:	5.21
IP(EA), eV:	-8.65(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]butan-1-amine

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=C(C=C(C=C3)OC)N=C2NCCCCNC(=O)[C@H](C(C)C)N4CCC(CC4)CCO

DOS

IR

Vibrations