Geometry & MOs

Info

ID:	255216
PubChem CID:	103130708
Reduced:	ON2F3C6H7 (1)
Stoich.:	AB2C3D6E7 (1)
Weight, g/mol:	184.121178
ΔH_f, kcal/mol:	-162.61
Dipole, Da:	4.4
IP(EA), eV:	-9.8(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-1-(1-methylpyrazol-3-yl)butan-1-ol

Drug info:

PubChemData

Smile

CN1C=CC(=N1)[C@H](C(F)(F)F)O

DOS

IR

Vibrations