Geometry & MOs

Info

ID:	245916
PubChem CID:	103028015
Reduced:	BrN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	212.152478
ΔH_f, kcal/mol:	-4.31
Dipole, Da:	4.15
IP(EA), eV:	-9.46(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-ol

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CCC(C2=CC3=C(O2)C(=CC=C3)Br)O

DOS

IR

Vibrations