Geometry & MOs

Info

ID:	203434
PubChem CID:	79829966
Reduced:	NSC10H17 (1)
Stoich.:	ABC10D17 (1)
Weight, g/mol:	247.077933
ΔH_f, kcal/mol:	-0.81
Dipole, Da:	2.75
IP(EA), eV:	-8.71(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-(pyrazin-2-ylmethylsulfanyl)aniline

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(C)(C)CCN

DOS

IR

Vibrations