Geometry & MOs

Info

ID:	433217
PubChem CID:	135173354
Reduced:	SN2O5C22H26 (1)
Stoich.:	AB2C5D22E26 (1)
Weight, g/mol:	332.319149
ΔH_f, kcal/mol:	-141.96
Dipole, Da:	7.13
IP(EA), eV:	-9.38(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4,4,5-tetramethylhexan-2-yl)-6-(2,4,4-trimethylpentan-2-yl)pyrazine

Drug info:

PubChemData

Smile

CC(=O)N=S1(=O)CCC(CC1)COC2=COC(=CC2=O)CN3CC4=CC=CC=C4C3

DOS

IR

Vibrations