Geometry & MOs

Info

ID:	151289
PubChem CID:	53800570
Reduced:	O5C24H32 (1)
Stoich.:	A5B24C32 (1)
Weight, g/mol:	479.164555
ΔH_f, kcal/mol:	-215.45
Dipole, Da:	4.09
IP(EA), eV:	-9.2(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methylpyridine-3-sulfinate;methyl 3-chloro-1,5-dimethylpyrazole-4-carboxylate;1,2-xylene

Drug info:

PubChemData

Smile

C1C(C(C(C1O)C=CC(C2CC3=CC=CC=C3C2)O)CC=CCCCC(=O)O)O

DOS

IR

Vibrations