Geometry & MOs

Info

ID:	220872
PubChem CID:	85240231
Reduced:	N3O4C13H19 (1)
Stoich.:	A3B4C13D19 (1)
Weight, g/mol:	279.982463
ΔH_f, kcal/mol:	-162.75
Dipole, Da:	5.56
IP(EA), eV:	-9.98(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,3-dichloro-3-(4-chlorophenyl)propanoate

Drug info:

PubChemData

Smile

CC1=NC=C(N=C1C)COC(=O)NC(C(C)C)C(=O)O

DOS

IR

Vibrations