Geometry & MOs

Info

ID:	203351
PubChem CID:	79817202
Reduced:	Cl2N5H13C14 (1)
Stoich.:	A2B5C13D14 (1)
Weight, g/mol:	271.089167
ΔH_f, kcal/mol:	67.86
Dipole, Da:	4.1
IP(EA), eV:	-8.27(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=NC2=C(C=C1)NC(=N2)C3=C(C(=CC(=C3)Cl)Cl)N

DOS

IR

Vibrations