Geometry & MOs

Info

ID:	264414
PubChem CID:	103459815
Reduced:	N2O2C11H18 (1)
Stoich.:	A2B2C11D18 (1)
Weight, g/mol:	282.230728
ΔH_f, kcal/mol:	-74.71
Dipole, Da:	2.97
IP(EA), eV:	-10.05(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)hexane-2,3-diol

Drug info:

PubChemData

Smile

CCC(CC)C(C(C1=NC=CN=C1)O)O

DOS

IR

Vibrations