Geometry & MOs

Info

ID:	340998
PubChem CID:	127263433
Reduced:	O5C12H12 (1)
Stoich.:	A5B12C12 (1)
Weight, g/mol:	278.082205
ΔH_f, kcal/mol:	-161.83
Dipole, Da:	1.0
IP(EA), eV:	-9.84(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-chlorophenyl)-3-(2-methylimidazol-1-yl)propanoate

Drug info:

PubChemData

Smile

COC(=O)C12C(C(C(O1)C3=CC=CC=C23)O)O

DOS

IR

Vibrations