Geometry & MOs

Info

ID:	245912
PubChem CID:	103027919
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	327.9978
ΔH_f, kcal/mol:	-24.95
Dipole, Da:	0.92
IP(EA), eV:	-8.62(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-2-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(C2=C(C=CS2)OC)O

DOS

IR

Vibrations