Geometry & MOs

Info

ID:	287000
PubChem CID:	104231679
Reduced:	BrN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	296.01604
ΔH_f, kcal/mol:	-17.62
Dipole, Da:	5.94
IP(EA), eV:	-9.4(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-(4-bromopyrazol-1-yl)-6-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

CC(C1=C(C=CC=C1OC)N2C=C(C=N2)Br)O

DOS

IR

Vibrations