Geometry & MOs

Info

ID:	287039
PubChem CID:	104231718
Reduced:	IN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	266.082205
ΔH_f, kcal/mol:	-3.27
Dipole, Da:	5.75
IP(EA), eV:	-9.03(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chloro-3-methylpyrazol-1-yl)-6-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC=C1OC)N2C=C(C=N2)I)O

DOS

IR

Vibrations