Geometry & MOs

Info

ID:	59594
PubChem CID:	24877534
Reduced:	N2H6C7 (3)
Stoich.:	A2B6C7 (3)
Weight, g/mol:	411.151767
ΔH_f, kcal/mol:	149.97
Dipole, Da:	4.63
IP(EA), eV:	-8.77(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)pyridin-3-yl]methyl]-N-pyridin-3-ylpyridin-3-amine

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)NC2=C(C=CC=N2)CN(C3=CN=CC=C3)C4=CN=CC=C4

DOS

IR

Vibrations