Geometry & MOs

Info

ID:	446601
PubChem CID:	135276299
Reduced:	FNCl2O3H18C21 (1)
Stoich.:	ABC2D3E18F21 (1)
Weight, g/mol:	483.295788
ΔH_f, kcal/mol:	-127.25
Dipole, Da:	3.4
IP(EA), eV:	-9.04(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-[(7-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]-3-methyl-2-(3-methylbutanoylamino)butanamide

Drug info:

PubChemData

Smile

CCN1C(=C(C=C(C1=O)Cl)C2=C(C=CC(=C2)OCOC)Cl)C3=CC=C(C=C3)F

DOS

IR

Vibrations