Geometry & MOs

Info

ID:	287001
PubChem CID:	104231680
Reduced:	BrN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-16.43
Dipole, Da:	5.87
IP(EA), eV:	-9.12(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methoxy-6-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations