Geometry & MOs

Info

ID:	279628
PubChem CID:	103844498
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	280.097855
ΔH_f, kcal/mol:	-86.35
Dipole, Da:	3.78
IP(EA), eV:	-8.88(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)N)COC2=CC=C(C=C2)CCO

DOS

IR

Vibrations