Geometry & MOs

Info

ID:	246439
PubChem CID:	103059662
Reduced:	ON2C16H32 (1)
Stoich.:	AB2C16D32 (1)
Weight, g/mol:	277.104897
ΔH_f, kcal/mol:	-79.36
Dipole, Da:	2.05
IP(EA), eV:	-8.48(2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-fluorophenyl)sulfanylmethyl]-N-propylpyrazin-2-amine

Drug info:

PubChemData

Smile

CCNC1CCOCC1CN(C)C2CCC(CC2)C

DOS

IR

Vibrations