Geometry & MOs

Info

ID:	338102
PubChem CID:	127258733
Reduced:	ClNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	241.050571
ΔH_f, kcal/mol:	-72.45
Dipole, Da:	0.52
IP(EA), eV:	-9.14(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-4-oxo-2-phenylbutan-2-yl) carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC(=O)N/C=C(/C)\Cl

DOS

IR

Vibrations