Geometry & MOs

Info

ID:	49213
PubChem CID:	11528971
Reduced:	BrO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	423.098
ΔH_f, kcal/mol:	-54.61
Dipole, Da:	4.38
IP(EA), eV:	-10.24(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylsulfanyl)imidazol-4-yl]methanol

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H]3[C@@H]4C=CC(=O)[C@H]3[C@H]1[C@@H]([C@H]2O4)Br

DOS

IR

Vibrations