Geometry & MOs

Info

ID:	339706
PubChem CID:	127261708
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-135.59
Dipole, Da:	3.91
IP(EA), eV:	-9.96(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-4-(4-methylphenyl)-4-oxobutan-2-yl] N-aminocarbamate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC(=O)NN)C(=O)CCCO

DOS

IR

Vibrations