Geometry & MOs

Info

ID:	446597
PubChem CID:	135276282
Reduced:	O3N6C20H28 (1)
Stoich.:	A3B6C20D28 (1)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	-55.48
Dipole, Da:	7.74
IP(EA), eV:	-8.42(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations