Geometry & MOs

Info

ID:	264360
PubChem CID:	103457241
Reduced:	N2O2C11H20 (1)
Stoich.:	A2B2C11D20 (1)
Weight, g/mol:	288.160456
ΔH_f, kcal/mol:	-84.72
Dipole, Da:	3.4
IP(EA), eV:	-9.49(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2,5-diethylpyrazol-3-yl)-4,4-dimethylpentane-2,3-diol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations