Geometry & MOs

Info

ID:	402621
PubChem CID:	135056620
Reduced:	O5C6H12 (1)
Stoich.:	A5B6C12 (1)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-227.43
Dipole, Da:	2.96
IP(EA), eV:	-10.32(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-acetamidoethenyl)benzoate

Drug info:

PubChemData

Smile

C(C=O)[C@@H]([C@@H](C(CO)O)O)O

DOS

IR

Vibrations