Geometry & MOs

Info

ID:	446571
PubChem CID:	135276089
Reduced:	F3O3N6C20H25 (1)
Stoich.:	A3B3C6D20E25 (1)
Weight, g/mol:	414.237939
ΔH_f, kcal/mol:	-225.34
Dipole, Da:	2.59
IP(EA), eV:	-9.09(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=C(C=C(C(=C3)C(F)(F)F)OC)N=C2NCCCCNC(=O)OC(C)C

DOS

IR

Vibrations