Geometry & MOs

Info

ID:	20048
PubChem CID:	577638
Reduced:	NCl2O3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	343.074199
ΔH_f, kcal/mol:	-136.28
Dipole, Da:	6.37
IP(EA), eV:	-9.98(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,3-dichloro-1-(1-phenylethylcarbamoyl)cyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC(C1)(Cl)Cl)C(=O)NC(C)C2=CC=CC=C2

DOS

IR

Vibrations