Geometry & MOs

Info

ID:	446627
PubChem CID:	135276491
Reduced:	ON2C7H10 (3)
Stoich.:	AB2C7D10 (3)
Weight, g/mol:	418.212867
ΔH_f, kcal/mol:	-82.56
Dipole, Da:	4.67
IP(EA), eV:	-8.6(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[(8-fluoro-7-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]carbamate

Drug info:

PubChemData

Smile

CCC1=NN=C2N1C3=C(C=C(C=C3)OC)N=C2NCCCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations