Geometry & MOs

Info

ID:	52358
PubChem CID:	12015199
Reduced:	NO5C13H13 (1)
Stoich.:	AB5C13D13 (1)
Weight, g/mol:	180.055322
ΔH_f, kcal/mol:	-171.49
Dipole, Da:	5.83
IP(EA), eV:	-9.91(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxyethyl 2-chloropropanoate

Drug info:

PubChemData

Smile

COCC(=O)OCCN1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations