Geometry & MOs

Info

ID:	144489
PubChem CID:	53376837
Reduced:	O4C17H22 (1)
Stoich.:	A4B17C22 (1)
Weight, g/mol:	524.150285
ΔH_f, kcal/mol:	-149.42
Dipole, Da:	1.13
IP(EA), eV:	-8.71(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyloxybenzoic acid;1-[(2-chlorophenyl)-diphenylmethyl]imidazole

Drug info:

PubChemData

Smile

CC1=C[C@H]([C@H](CC1)C(=O)OC)C2=C(C=CC=C2OC)OC

DOS

IR

Vibrations