Geometry & MOs

Info

ID:	446616
PubChem CID:	135276401
Reduced:	O3N6C20H28 (1)
Stoich.:	A3B6C20D28 (1)
Weight, g/mol:	414.237939
ΔH_f, kcal/mol:	-65.98
Dipole, Da:	4.39
IP(EA), eV:	-8.33(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-hydroxy-N-[4-[(6-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=C(C=CC(=C3)OC)N=C2NCCCCNC(=O)[C@@H](C(C)C)O

DOS

IR

Vibrations