Geometry & MOs

Info

ID:	287023
PubChem CID:	104231702
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-40.87
Dipole, Da:	7.35
IP(EA), eV:	-8.64(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(C=N1)C2=C(C(=CC=C2)OC)[C@@H](C)O)C

DOS

IR

Vibrations