Geometry & MOs

Info

ID:	54565
PubChem CID:	17388910
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	406.157581
ΔH_f, kcal/mol:	-68.84
Dipole, Da:	6.63
IP(EA), eV:	-9.58(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[5-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-1,3-oxazolidin-2-yl]aniline

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(\CC(=O)NC1=CC=CC=N1)/N)/C#N

DOS

IR

Vibrations