Geometry & MOs

Info

ID:	446615
PubChem CID:	135276391
Reduced:	ON6C22H30 (1)
Stoich.:	AB6C22D30 (1)
Weight, g/mol:	400.222289
ΔH_f, kcal/mol:	14.85
Dipole, Da:	1.48
IP(EA), eV:	-8.69(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2CCNCC2)NC3=CC(=NC(=N3)C)NC4CC(C4)O)C=N

DOS

IR

Vibrations