Geometry & MOs

Info

ID:	176887
PubChem CID:	76108100
Reduced:	SN4O4C10H12 (1)
Stoich.:	AB4C4D10E12 (1)
Weight, g/mol:	295.225977
ΔH_f, kcal/mol:	-83.67
Dipole, Da:	2.96
IP(EA), eV:	-9.7(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(butylamino)-4-(5-butylpyrazin-2-yl)butane-1,3-diol

Drug info:

PubChemData

Smile

C1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)COS)O)O

DOS

IR

Vibrations