Geometry & MOs

Info

ID:	287021
PubChem CID:	104231700
Reduced:	BrN2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-34.02
Dipole, Da:	3.21
IP(EA), eV:	-9.2(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4,5-dimethylimidazol-1-yl)-6-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=C(C(=CC=C2)OC)[C@H](C)O)C)Br

DOS

IR

Vibrations