Geometry & MOs

Info

ID:	211423
PubChem CID:	80947220
Reduced:	SN3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	279.126615
ΔH_f, kcal/mol:	7.98
Dipole, Da:	0.81
IP(EA), eV:	-8.77(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-2-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)SCC)N

DOS

IR

Vibrations