Geometry & MOs

Info

ID:	446578
PubChem CID:	135276156
Reduced:	NSO4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	432.227374
ΔH_f, kcal/mol:	-121.31
Dipole, Da:	6.05
IP(EA), eV:	-9.16(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]carbamate

Drug info:

PubChemData

Smile

CCN(CCSCCO)C1=CC(=O)C2=C(O1)C(=CO2)C

DOS

IR

Vibrations