Geometry & MOs

Info

ID:	255196
PubChem CID:	103130621
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	311.9932
ΔH_f, kcal/mol:	-29.02
Dipole, Da:	5.71
IP(EA), eV:	-8.58(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)sulfanyl-1-(1-methylpyrazol-3-yl)ethanol

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2CC3=CC=CC=C3OC2)O

DOS

IR

Vibrations