Geometry & MOs

Info

ID:	246434
PubChem CID:	103059651
Reduced:	SN3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	273.129969
ΔH_f, kcal/mol:	59.08
Dipole, Da:	2.35
IP(EA), eV:	-8.43(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC2=CN=C(C=N2)NC

DOS

IR

Vibrations