Geometry & MOs

Info

ID:	268013
PubChem CID:	103595657
Reduced:	OSN2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	347.0667
ΔH_f, kcal/mol:	-25.84
Dipole, Da:	5.0
IP(EA), eV:	-8.72(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-ethyl-5-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C(C2CSCCN2C)O

DOS

IR

Vibrations