Geometry & MOs

Info

ID:	287015
PubChem CID:	104231694
Reduced:	NOC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	280.097855
ΔH_f, kcal/mol:	-4.25
Dipole, Da:	4.81
IP(EA), eV:	-8.78(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC=C1OC)N2C3=CC=CC=C3C=N2)O

DOS

IR

Vibrations