Geometry & MOs

Info

ID:	287649
PubChem CID:	104250147
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	272.129156
ΔH_f, kcal/mol:	-98.46
Dipole, Da:	3.65
IP(EA), eV:	-9.68(2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2,5-dimethylpyrazol-3-yl)-3-(oxan-2-yl)propan-2-ol

Drug info:

PubChemData

Smile

C1CCOC(C1)CC(C2CC2)O

DOS

IR

Vibrations