Geometry & MOs

Info

ID:	446590
PubChem CID:	135276250
Reduced:	O2F3N6C19H23 (1)
Stoich.:	A2B3C6D19E23 (1)
Weight, g/mol:	492.248504
ΔH_f, kcal/mol:	-179.85
Dipole, Da:	7.27
IP(EA), eV:	-9.01(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[(7,8-dimethoxy-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCCNC1=NC2=CC=CC=C2N3C1=NN=C3C(F)(F)F

DOS

IR

Vibrations