Geometry & MOs

Info

ID:	339703
PubChem CID:	127261705
Reduced:	ClN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	-79.89
Dipole, Da:	0.72
IP(EA), eV:	-9.47(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylpropyl)phenyl]methyl N-aminocarbamate

Drug info:

PubChemData

Smile

CC(C)(CC1=CC=CC=C1Cl)OC(=O)NN

DOS

IR

Vibrations