Geometry & MOs

Info

ID:	246286
PubChem CID:	103059063
Reduced:	ON2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	289.124883
ΔH_f, kcal/mol:	-41.31
Dipole, Da:	3.22
IP(EA), eV:	-7.9(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methylsulfanylphenoxy)methyl]-N-propylpyrazin-2-amine

Drug info:

PubChemData

Smile

CCN(CC1COCCC1NC)C2=CC=CC(=C2)C

DOS

IR

Vibrations