Geometry & MOs

Info

ID:	246442
PubChem CID:	103059667
Reduced:	ON2C13H28 (1)
Stoich.:	AB2C13D28 (1)
Weight, g/mol:	302.131366
ΔH_f, kcal/mol:	-79.36
Dipole, Da:	1.79
IP(EA), eV:	-8.44(2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylpyrazin-2-amine

Drug info:

PubChemData

Smile

CC(C)CN(CC1COCCC1N)C(C)C

DOS

IR

Vibrations