Geometry & MOs

Info

ID:	339730
PubChem CID:	127261732
Reduced:	N2O4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-112.78
Dipole, Da:	1.99
IP(EA), eV:	-8.71(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5S)-5-amino-2-methyl-4-oxo-6-phenylhexan-2-yl] N-aminocarbamate

Drug info:

PubChemData

Smile

CC(C)(/C=C/C1=CC2=C(C=C1)OCO2)OC(=O)NN

DOS

IR

Vibrations