Geometry & MOs

Info

ID:	446609
PubChem CID:	135276357
Reduced:	O4N6C23H26 (1)
Stoich.:	A4B6C23D26 (1)
Weight, g/mol:	358.191738
ΔH_f, kcal/mol:	-51.68
Dipole, Da:	6.55
IP(EA), eV:	-8.28(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(8-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=CC(=C(C=C3N=C2NCCCCNC(=O)OC4=CC=CC=C4)OC)OC

DOS

IR

Vibrations