Geometry & MOs

Info

ID:	149514
PubChem CID:	53789187
Reduced:	ClN2O3H9C11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	254.090272
ΔH_f, kcal/mol:	-64.84
Dipole, Da:	4.44
IP(EA), eV:	-9.31(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[4-(hydroperoxymethyl)phenyl]carbamoylamino]methyl acetate

Drug info:

PubChemData

Smile

CC(=NNC(=O)O)C1=CC2=C(O1)C=CC(=C2)Cl

DOS

IR

Vibrations