Geometry & MOs

Info

ID:	283508
PubChem CID:	103986361
Reduced:	NOC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	252.183778
ΔH_f, kcal/mol:	-74.58
Dipole, Da:	5.1
IP(EA), eV:	-9.36(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-diethylpyrazol-3-yl)-3-(oxolan-3-yl)propan-2-ol

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CC(CC2CCOC2)O

DOS

IR

Vibrations