Geometry & MOs

Info

ID:	26694
PubChem CID:	794634
Reduced:	ON2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	328.038148
ΔH_f, kcal/mol:	33.57
Dipole, Da:	1.76
IP(EA), eV:	-8.79(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3N2

DOS

IR

Vibrations