Geometry & MOs

Info

ID:	5257
PubChem CID:	12843
Reduced:	ClNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	213.055656
ΔH_f, kcal/mol:	-92.3
Dipole, Da:	3.49
IP(EA), eV:	-9.45(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)propan-2-yl carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations